S-Acetylthiorphan
TL;DR: S-Acetylthiorphan (CAS 124735-06-4) is a chemical compound with molecular formula C14H17NO4S and molecular weight 295.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetic acid
Also Known As: S-Acetylthiorphan, Hemiacetorphan, S-Acetylthiophan, acetylthiorphan, Hemiacetorphan 6
| Molecular Formula | C14H17NO4S |
|---|---|
| Molecular Weight | 295.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 295.08783 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 124735-06-4 |
|---|---|
| SMILES | CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)O |
| InChIKey | DCMKACHZOPSUHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Acetylthiorphan (CAS 124735-06-4), with molecular formula C14H17NO4S and molecular weight 295.09 g/mol. IUPAC: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetic acid.
Chemical Property Profile of S-Acetylthiorphan
Property Insights of S-Acetylthiorphan
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Acetylthiorphan. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Acetylthiorphan. Following Lipinski's Rule of Five, S-Acetylthiorphan has 2 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-Acetylthiorphan?
The CAS number of S-Acetylthiorphan is 124735-06-4.
What is the molecular formula of S-Acetylthiorphan?
The molecular formula of S-Acetylthiorphan is C14H17NO4S.
What is the molecular weight of S-Acetylthiorphan?
The molecular weight of S-Acetylthiorphan is 295.09 g/mol.
Where can I buy S-Acetylthiorphan?
You can request a quote for S-Acetylthiorphan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Acetylthiorphan?
Yes, KEHONG BIO provides custom synthesis services for S-Acetylthiorphan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.