N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate
TL;DR: N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate (CAS 1038749-81-3) is a chemical compound with molecular formula C25H45N5O6S3 and molecular weight 607.2532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[6-(2-methylsulfonylsulfanylethylamino)-6-oxohexyl]-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide
Also Known As: N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate, N-[6-(2-methylsulfonylsulfanylethylamino)-6-oxohexyl]-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide
Technical Specifications
| Molecular Formula | C25H45N5O6S3 |
| Molecular Weight | 607.2532 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 222.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Exact Mass | 607.2532 Da |
| Heavy Atoms | 39 |
| Complexity | 899.0 |
| SMILES | CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2 |
| InChIKey | RIKWYYNURUQHAI-UHFFFAOYSA-N |
Chemical Property Profile of N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate
Property Insights of N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate. The TPSA of 222.0 Ų indicates high polarity, suggesting N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate?
The CAS number of N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate is 1038749-81-3.
What is the molecular formula of N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate?
The molecular formula of N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate is C25H45N5O6S3.
What is the molecular weight of N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate?
The molecular weight of N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate is 607.2532 g/mol.
Where can I buy N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate?
You can request a quote for N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate?
Yes, CoreyChem provides custom synthesis services for N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.