N-Carbobenzyloxy-S-benzylcysteine sulfone
TL;DR: N-Carbobenzyloxy-S-benzylcysteine sulfone (CAS 101730-77-2) is a chemical compound with molecular formula C18H19NO6S and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfonyl-2-(phenylmethoxycarbonylamino)propanoic acid
Also Known As: N-Carbobenzyloxy-S-benzylcysteine sulfone, N-[(Benzyloxy)carbonyl]-3-(benzylsulfonyl)alanine #, alanine, 3-(benzylsulfonyl)-n-carboxy-, n-benzyl ester, 3-benzylsulfonyl-2-(phenylmethoxycarbonylamino)propanoic acid
| Molecular Formula | C18H19NO6S |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 377.09332 |
| Heavy Atoms | 26 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 101730-77-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)O |
| InChIKey | YXQLSAXGKKWQGO-UHFFFAOYSA-N |
Product Overview
N-Carbobenzyloxy-S-benzylcysteine sulfone (CAS 101730-77-2), with molecular formula C18H19NO6S and molecular weight 377.09 g/mol. IUPAC: 3-benzylsulfonyl-2-(phenylmethoxycarbonylamino)propanoic acid.
Chemical Property Profile of N-Carbobenzyloxy-S-benzylcysteine sulfone
Property Insights of N-Carbobenzyloxy-S-benzylcysteine sulfone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Carbobenzyloxy-S-benzylcysteine sulfone. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Carbobenzyloxy-S-benzylcysteine sulfone. Following Lipinski's Rule of Five, N-Carbobenzyloxy-S-benzylcysteine sulfone 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
Frequently Asked Questions
What is the CAS number of N-Carbobenzyloxy-S-benzylcysteine sulfone?
The CAS number of N-Carbobenzyloxy-S-benzylcysteine sulfone is 101730-77-2.
What is the molecular formula of N-Carbobenzyloxy-S-benzylcysteine sulfone?
The molecular formula of N-Carbobenzyloxy-S-benzylcysteine sulfone is C18H19NO6S.
What is the molecular weight of N-Carbobenzyloxy-S-benzylcysteine sulfone?
The molecular weight of N-Carbobenzyloxy-S-benzylcysteine sulfone is 377.09 g/mol.
Where can I buy N-Carbobenzyloxy-S-benzylcysteine sulfone?
You can request a quote for N-Carbobenzyloxy-S-benzylcysteine sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Carbobenzyloxy-S-benzylcysteine sulfone?
Yes, KEHONG BIO provides custom synthesis services for N-Carbobenzyloxy-S-benzylcysteine sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.