A2730/0115887
TL;DR: A2730/0115887 (CAS 448188-71-4) is a chemical compound with molecular formula C16H12ClF4N3O3 and molecular weight 405.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-chloro-2-pyridinyl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate
Also Known As: A2730/0115887, methyl 2-((5-chloropyridin-2-yl)amino)-3,3,3-trifluoro-2-(2-fluorobenzamido)propanoate, 2-(5-Chloro-pyridin-2-ylamino)-3,3,3-trifluoro-2-(2-fluoro-benzoylamino)-propionic acid methyl ester, methyl 2-[(5-chloro(2-pyridyl))amino]-3,3,3-trifluoro-2-[(2-fluorophenyl)carbo nylamino]propanoate, Methyl 2-[(5-chloro-2-pyridinyl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate #
| Molecular Formula | C16H12ClF4N3O3 |
|---|---|
| Molecular Weight | 405.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.05032 |
| Heavy Atoms | 27 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 448188-71-4 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(NC1=NC=C(C=C1)Cl)NC(=O)C2=CC=CC=C2F |
| InChIKey | AIDWXACDVQZZJF-UHFFFAOYSA-N |
Product Overview
A2730/0115887 (CAS 448188-71-4), with molecular formula C16H12ClF4N3O3 and molecular weight 405.05 g/mol. IUPAC: methyl 2-[(5-chloro-2-pyridinyl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate.
Chemical Property Profile of A2730/0115887
Property Insights of A2730/0115887
The XLogP value of 4.4 indicates that A2730/0115887 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for A2730/0115887. Following Lipinski's Rule of Five, A2730/0115887 has 2 hydrogen bond donor(s) and 9 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 A2730/0115887?
The CAS number of A2730/0115887 is 448188-71-4.
What is the molecular formula of A2730/0115887?
The molecular formula of A2730/0115887 is C16H12ClF4N3O3.
What is the molecular weight of A2730/0115887?
The molecular weight of A2730/0115887 is 405.05 g/mol.
Where can I buy A2730/0115887?
You can request a quote for A2730/0115887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2730/0115887?
Yes, KEHONG BIO provides custom synthesis services for A2730/0115887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.