8L-953
TL;DR: 8L-953 (CAS 339101-94-9) is a chemical compound with molecular formula C19H14ClF3N2O3 and molecular weight 410.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(2-chlorobenzoyl)amino]-3-cyanopropan-2-yl] 3-(trifluoromethyl)benzoate
Also Known As: 8L-953, 2-[(2-chlorobenzoyl)amino]-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate, [1-[(2-chlorobenzoyl)amino]-3-cyanopropan-2-yl] 3-(trifluoromethyl)benzoate, [1-[(2-chlorobenzoyl)amino]-3-cyano-propan-2-yl] 3-(trifluoromethyl)benzoate, 1-[(2-chlorophenyl)formamido]-3-cyanopropan-2-yl 3-(trifluoromethyl)benzoate
| Molecular Formula | C19H14ClF3N2O3 |
|---|---|
| Molecular Weight | 410.06 g/mol |
| LogP | 4.22788 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.0645 |
| Heavy Atoms | 28 |
| Complexity | 909.7822 |
Chemical Identifiers
| CAS Number | 339101-94-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NCC(CC#N)OC(=O)C2=CC(=CC=C2)C(F)(F)F)Cl |
Product Overview
8L-953 (CAS 339101-94-9), with molecular formula C19H14ClF3N2O3 and molecular weight 410.06 g/mol. IUPAC: [1-[(2-chlorobenzoyl)amino]-3-cyanopropan-2-yl] 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 8L-953
Property Insights of 8L-953
The XLogP value of 4.22788 indicates that 8L-953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 8L-953. Following Lipinski's Rule of Five, 8L-953 has 1 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 8L-953?
The CAS number of 8L-953 is 339101-94-9.
What is the molecular formula of 8L-953?
The molecular formula of 8L-953 is C19H14ClF3N2O3.
What is the molecular weight of 8L-953?
The molecular weight of 8L-953 is 410.06 g/mol.
Where can I buy 8L-953?
You can request a quote for 8L-953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8L-953?
Yes, KEHONG BIO provides custom synthesis services for 8L-953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.