2-(Benzylsulfanylcarbonylamino)propanoic acid
TL;DR: 2-(Benzylsulfanylcarbonylamino)propanoic acid (CAS 1772-54-9) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylsulfanylcarbonylamino)propanoic acid
Also Known As: n-[(benzylsulfanyl)carbonyl]alanine, 2-(benzylsulfanylcarbonylamino)propanoic acid, Alanine,N-(thiocarboxy)-,s-benzyl ester,l-(8ci), Alanine, N-(thiocarboxy)-,S-benzyl ester, L- (8CI)
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 1772-54-9 |
|---|---|
| SMILES | CC(C(=O)O)NC(=O)SCC1=CC=CC=C1 |
| InChIKey | QRQAUDOFQQQIGA-UHFFFAOYSA-N |
Product Overview
2-(Benzylsulfanylcarbonylamino)propanoic acid (CAS 1772-54-9), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: 2-(benzylsulfanylcarbonylamino)propanoic acid.
Chemical Property Profile of 2-(Benzylsulfanylcarbonylamino)propanoic acid
Property Insights of 2-(Benzylsulfanylcarbonylamino)propanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylsulfanylcarbonylamino)propanoic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfanylcarbonylamino)propanoic acid. Following Lipinski's Rule of Five, 2-(Benzylsulfanylcarbonylamino)propanoic acid has 2 hydrogen bond donor(s) and 4 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 2-(Benzylsulfanylcarbonylamino)propanoic acid?
The CAS number of 2-(Benzylsulfanylcarbonylamino)propanoic acid is 1772-54-9.
What is the molecular formula of 2-(Benzylsulfanylcarbonylamino)propanoic acid?
The molecular formula of 2-(Benzylsulfanylcarbonylamino)propanoic acid is C11H13NO3S.
What is the molecular weight of 2-(Benzylsulfanylcarbonylamino)propanoic acid?
The molecular weight of 2-(Benzylsulfanylcarbonylamino)propanoic acid is 239.06 g/mol.
Where can I buy 2-(Benzylsulfanylcarbonylamino)propanoic acid?
You can request a quote for 2-(Benzylsulfanylcarbonylamino)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanylcarbonylamino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanylcarbonylamino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.