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2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE structure
Fine Chemical

2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE

TL;DR: 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE (CAS 1356841-34-3) is a chemical compound with molecular formula C38H56F4N10O8S3 and molecular weight 952.3381 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-azido-2,3,5,6-tetrafluoro-N-[6-[[1-(2-methylsulfonylsulfanylethylamino)-1-oxo-6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexan-2-yl]amino]-6-oxohexyl]benzamide

Also Known As: 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE, 2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6- aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinylamido}ethyl Methanethiosulfonate, 2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6-aminocaproyl]-N6-(6-biotinamidocaproyl)-L-lysinylamido}ethyl Methanethiosulfonate, 4-azido-2,3,5,6-tetrafluoro-N-[6-[[1-(2-methylsulfonylsulfanylethylamino)-1-oxo-6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexan-2-yl]amino]-6-oxohexyl]benzamide

CAS Number
1356841-34-3
Molecular Formula
C38H56F4N10O8S3
Molecular Weight
952.3381 g/mol
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Technical Specifications

Molecular FormulaC38H56F4N10O8S3
Molecular Weight952.3381 g/mol
XLogP3.3
Topological Polar Surface Area (TPSA)294.0 Ų
Hydrogen Bond Donors7
Hydrogen Bond Acceptors16
Rotatable Bonds30
Exact Mass952.3381 Da
Heavy Atoms63
Complexity1670.0
SMILESCS(=O)(=O)SCCNC(=O)C(CCCCNC(=O)CCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)NC(=O)CCCCCNC(=O)C3=C(C(=C(C(=C3F)F)N=[N+]=[N-])F)F
InChIKeyRCZMWBSDKDJPHL-UHFFFAOYSA-N

Chemical Property Profile of 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE

XLogP
3.3
TPSA (Topological Polar Surface Area)
294.0
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
16
Rotatable Bonds
30
Heavy Atoms
63
Complexity
1670.0
Exact Mass
952.3381
Monoisotopic Mass
952.3381
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE

The XLogP value of 3.3 indicates that 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 294.0 Ų indicates high polarity, suggesting 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE?

The CAS number of 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE is 1356841-34-3.

What is the molecular formula of 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE?

The molecular formula of 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE is C38H56F4N10O8S3.

What is the molecular weight of 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE?

The molecular weight of 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE is 952.3381 g/mol.

Where can I buy 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE?

You can request a quote for 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE?

Yes, CoreyChem provides custom synthesis services for 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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