(S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride
TL;DR: (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride (CAS 69861-89-8) is a chemical compound with molecular formula C21H27ClN2O3S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-benzyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanethioate;hydrochloride
Also Known As: Z-Lys-SBzl HCl, Z-Lys-SBzl . HCl, Z-L-Lys-SBzl HCl, Z-Lys-SBzl hydrochloride, Z-Lys-SBzl.HCl
| Molecular Formula | C21H27ClN2O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 4.2922 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 422.1431 |
| Heavy Atoms | 28 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 69861-89-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCN)C(=O)SCC2=CC=CC=C2.Cl |
| InChIKey | PNDSXGXPDJRQAV-FYZYNONXSA-N |
Product Overview
(S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride (CAS 69861-89-8), with molecular formula C21H27ClN2O3S and molecular weight 422.14 g/mol. IUPAC: S-benzyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanethioate;hydrochloride.
Chemical Property Profile of (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride
Property Insights of (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride
The XLogP value of 4.2922 indicates that (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride. Following Lipinski's Rule of Five, (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride?
The CAS number of (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride is 69861-89-8.
What is the molecular formula of (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride?
The molecular formula of (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride is C21H27ClN2O3S.
What is the molecular weight of (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride?
The molecular weight of (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride is 422.14 g/mol.
Where can I buy (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride?
You can request a quote for (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.