硫奥芬
TL;DR: 硫奥芬 (CAS 76721-89-6) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫奥芬
2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid
Also Known As: dl-thiorphan, THIORPHAN, Tiorphan, Entinostat, Thiorphan-d7
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 76721-89-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O |
| InChIKey | LJJKNPQAGWVLDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫奥芬 (CAS 76721-89-6), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid.
Chemical Property Profile of 硫奥芬
Property Insights of 硫奥芬
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫奥芬. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫奥芬. Following Lipinski's Rule of Five, 硫奥芬 has 3 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 硫奥芬?
The CAS number of 硫奥芬 is 76721-89-6.
What is the molecular formula of 硫奥芬?
The molecular formula of 硫奥芬 is C12H15NO3S.
What is the molecular weight of 硫奥芬?
The molecular weight of 硫奥芬 is 253.08 g/mol.
Where can I buy 硫奥芬?
You can request a quote for 硫奥芬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫奥芬?
Yes, KEHONG BIO provides custom synthesis services for 硫奥芬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.