Acetyl-S-(4-cyanoanilinomethyl)cysteine
TL;DR: Acetyl-S-(4-cyanoanilinomethyl)cysteine (CAS 92085-26-2) is a chemical compound with molecular formula C17H12F4N2O and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one
Also Known As: Acetyl-S-(4-cyanoanilinomethyl)cysteine, 2H-1,4-Benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-, 5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one, 5-(2-Fluorophenyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
| Molecular Formula | C17H12F4N2O |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.08856 |
| Heavy Atoms | 24 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 92085-26-2 |
|---|---|
| SMILES | C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3F)CC(F)(F)F |
| InChIKey | YNTYEIPFNGJAFZ-UHFFFAOYSA-N |
Product Overview
Acetyl-S-(4-cyanoanilinomethyl)cysteine (CAS 92085-26-2), with molecular formula C17H12F4N2O and molecular weight 336.09 g/mol. IUPAC: 5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of Acetyl-S-(4-cyanoanilinomethyl)cysteine
Property Insights of Acetyl-S-(4-cyanoanilinomethyl)cysteine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl-S-(4-cyanoanilinomethyl)cysteine. With a topological polar surface area (TPSA) of 32.7 Ų, Acetyl-S-(4-cyanoanilinomethyl)cysteine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetyl-S-(4-cyanoanilinomethyl)cysteine has 0 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 Acetyl-S-(4-cyanoanilinomethyl)cysteine?
The CAS number of Acetyl-S-(4-cyanoanilinomethyl)cysteine is 92085-26-2.
What is the molecular formula of Acetyl-S-(4-cyanoanilinomethyl)cysteine?
The molecular formula of Acetyl-S-(4-cyanoanilinomethyl)cysteine is C17H12F4N2O.
What is the molecular weight of Acetyl-S-(4-cyanoanilinomethyl)cysteine?
The molecular weight of Acetyl-S-(4-cyanoanilinomethyl)cysteine is 336.09 g/mol.
Where can I buy Acetyl-S-(4-cyanoanilinomethyl)cysteine?
You can request a quote for Acetyl-S-(4-cyanoanilinomethyl)cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl-S-(4-cyanoanilinomethyl)cysteine?
Yes, KEHONG BIO provides custom synthesis services for Acetyl-S-(4-cyanoanilinomethyl)cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.