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Einecs 239-214-6 structure
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Einecs 239-214-6

TL;DR: Einecs 239-214-6 (CAS 15160-31-3) is a chemical compound with molecular formula C22H23N3O6 and molecular weight 425.1587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

Boc-Trp-ONp

(4-nitrophenyl) 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Also Known As: Boc-Trp-ONp, Na-Boc-L-tryptophan 4-nitrophenyl ester, 4-nitrophenyl n-(tert-butoxycarbonyl)tryptophanate, 4-Nitrophenyl N-((tert-butoxy)carbonyl)-L-tryptophanate, 4-Nitrophenyl N-[tert-butoxy(hydroxy)methylidene]tryptophanate

CAS Number
15160-31-3
Molecular Formula
C22H23N3O6
Molecular Weight
425.1587 g/mol
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Technical Specifications

Molecular FormulaC22H23N3O6
Molecular Weight425.1587 g/mol
XLogP4.2
Topological Polar Surface Area (TPSA)126.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds8
Exact Mass425.1587 Da
Heavy Atoms31
Complexity651.0
SMILESCC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
InChIKeyLQGKMKBNHAFRBV-UHFFFAOYSA-N

Chemical Property Profile of Einecs 239-214-6

XLogP
4.2
TPSA (Topological Polar Surface Area)
126.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
8
Heavy Atoms
31
Complexity
651.0
Exact Mass
425.1587
Monoisotopic Mass
425.1587
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 Einecs 239-214-6

The XLogP value of 4.2 indicates that Einecs 239-214-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 239-214-6. Following Lipinski's Rule of Five, Einecs 239-214-6 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Einecs 239-214-6?

The CAS number of Einecs 239-214-6 is 15160-31-3.

What is the molecular formula of Einecs 239-214-6?

The molecular formula of Einecs 239-214-6 is C22H23N3O6.

What is the molecular weight of Einecs 239-214-6?

The molecular weight of Einecs 239-214-6 is 425.1587 g/mol.

Where can I buy Einecs 239-214-6?

You can request a quote for Einecs 239-214-6 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Einecs 239-214-6?

Yes, CoreyChem provides custom synthesis services for Einecs 239-214-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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