8P-736
TL;DR: 8P-736 (CAS 478258-03-6) is a chemical compound with molecular formula C21H19ClF3N3O3 and molecular weight 453.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropanoate
Also Known As: 8P-736, ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxopropanoate, ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}acetate, ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropanoate, Ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-[2-(1H-indol-3-yl)ethylcarbamoyl]acetate
| Molecular Formula | C21H19ClF3N3O3 |
|---|---|
| Molecular Weight | 453.11 g/mol |
| LogP | 4.2407 |
| Topological Polar Surface Area | 84.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.1067 |
| Heavy Atoms | 31 |
| Complexity | 1098.1538 |
Chemical Identifiers
| CAS Number | 478258-03-6 |
|---|---|
| SMILES | CCOC(=O)C(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)NCCC2=CNC3=CC=CC=C32 |
Product Overview
8P-736 (CAS 478258-03-6), with molecular formula C21H19ClF3N3O3 and molecular weight 453.11 g/mol. IUPAC: ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropanoate.
Chemical Property Profile of 8P-736
Property Insights of 8P-736
The XLogP value of 4.2407 indicates that 8P-736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 8P-736. Following Lipinski's Rule of Five, 8P-736 has 2 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 8P-736?
The CAS number of 8P-736 is 478258-03-6.
What is the molecular formula of 8P-736?
The molecular formula of 8P-736 is C21H19ClF3N3O3.
What is the molecular weight of 8P-736?
The molecular weight of 8P-736 is 453.11 g/mol.
Where can I buy 8P-736?
You can request a quote for 8P-736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8P-736?
Yes, KEHONG BIO provides custom synthesis services for 8P-736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.