BAS 00916014
TL;DR: BAS 00916014 (CAS 5727-24-2) is a chemical compound with molecular formula C25H23ClN2O3 and molecular weight 434.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: BAS 00916014, 7-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 7-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 7-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 4-(2,5-dimethoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydro quinoline-3-carbonitrile
| Molecular Formula | C25H23ClN2O3 |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | 5.24238 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.1397 |
| Heavy Atoms | 31 |
| Complexity | 1142.3473 |
Chemical Identifiers
| CAS Number | 5727-24-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)OC)OC)C#N |
Product Overview
BAS 00916014 (CAS 5727-24-2), with molecular formula C25H23ClN2O3 and molecular weight 434.14 g/mol. IUPAC: 7-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of BAS 00916014
Property Insights of BAS 00916014
The XLogP value of 5.24238 indicates that BAS 00916014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00916014. Following Lipinski's Rule of Five, BAS 00916014 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00916014?
The CAS number of BAS 00916014 is 5727-24-2.
What is the molecular formula of BAS 00916014?
The molecular formula of BAS 00916014 is C25H23ClN2O3.
What is the molecular weight of BAS 00916014?
The molecular weight of BAS 00916014 is 434.14 g/mol.
Where can I buy BAS 00916014?
You can request a quote for BAS 00916014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00916014?
Yes, KEHONG BIO provides custom synthesis services for BAS 00916014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.