A3101/0131293
TL;DR: A3101/0131293 (CAS 606924-06-5) is a chemical compound with molecular formula C19H19ClF3NO5 and molecular weight 433.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propanoate
Also Known As: A3101/0131293, (R)-methyl 2-(4-chlorobenzamido)-3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propanoate, METHYL 2-[(4-CHLOROBENZOYL)AMINO]-3,3,3-TRIFLUORO-2-(2-HYDROXY-4,4-DIMETHYL-6-OXO-1-CYCLOHEXENYL)PROPANOATE, methyl 2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propanoate, methyl 2-{[(4-chlorophenyl)carbonyl]amino}-3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propanoate
| Molecular Formula | C19H19ClF3NO5 |
|---|---|
| Molecular Weight | 433.09 g/mol |
| LogP | 3.7451 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.0904 |
| Heavy Atoms | 29 |
| Complexity | 876.8259 |
Chemical Identifiers
| CAS Number | 606924-06-5 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)Cl)O)C |
Product Overview
A3101/0131293 (CAS 606924-06-5), with molecular formula C19H19ClF3NO5 and molecular weight 433.09 g/mol. IUPAC: methyl 2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propanoate.
Chemical Property Profile of A3101/0131293
Property Insights of A3101/0131293
The XLogP value of 3.7451 indicates that A3101/0131293 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A3101/0131293. Following Lipinski's Rule of Five, A3101/0131293 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 A3101/0131293?
The CAS number of A3101/0131293 is 606924-06-5.
What is the molecular formula of A3101/0131293?
The molecular formula of A3101/0131293 is C19H19ClF3NO5.
What is the molecular weight of A3101/0131293?
The molecular weight of A3101/0131293 is 433.09 g/mol.
Where can I buy A3101/0131293?
You can request a quote for A3101/0131293 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3101/0131293?
Yes, KEHONG BIO provides custom synthesis services for A3101/0131293 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.