2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
TL;DR: 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid (CAS 7469-33-2) is a chemical compound with molecular formula C17H17NO4S and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylsulfanylcarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
Also Known As: 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid, 2-(benzylsulfanylcarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
| Molecular Formula | C17H17NO4S |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.08783 |
| Heavy Atoms | 23 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 7469-33-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O |
| InChIKey | GVUZNRPUQXSQCF-UHFFFAOYSA-N |
Product Overview
2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid (CAS 7469-33-2), with molecular formula C17H17NO4S and molecular weight 331.09 g/mol. IUPAC: 2-(benzylsulfanylcarbonylamino)-3-(4-hydroxyphenyl)propanoic acid.
Chemical Property Profile of 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
Property Insights of 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid. Following Lipinski's Rule of Five, 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid 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 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid?
The CAS number of 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid is 7469-33-2.
What is the molecular formula of 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid?
The molecular formula of 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid is C17H17NO4S.
What is the molecular weight of 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid?
The molecular weight of 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid is 331.09 g/mol.
Where can I buy 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid?
You can request a quote for 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)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-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthiocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.