Bobcat339 hydrochloride
TL;DR: Bobcat339 hydrochloride (CAS 2436747-44-1) is a chemical compound with molecular formula C27H27ClN2O7 and molecular weight 526.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: Bobcat339 hydrochloride, BAS 02102268, Ethyl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 4-(4-Chloro-3-nitro-phenyl)-7-(3,4-dimethoxy-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester, ethyl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C27H27ClN2O7 |
|---|---|
| Molecular Weight | 526.15 g/mol |
| LogP | 5.1901 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 526.1507 |
| Heavy Atoms | 37 |
| Complexity | 1348.2601 |
Chemical Identifiers
| CAS Number | 2436747-44-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C |
Product Overview
Bobcat339 hydrochloride (CAS 2436747-44-1), with molecular formula C27H27ClN2O7 and molecular weight 526.15 g/mol. IUPAC: ethyl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of Bobcat339 hydrochloride
Property Insights of Bobcat339 hydrochloride
The XLogP value of 5.1901 indicates that Bobcat339 hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bobcat339 hydrochloride. Following Lipinski's Rule of Five, Bobcat339 hydrochloride has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bobcat339 hydrochloride?
The CAS number of Bobcat339 hydrochloride is 2436747-44-1.
What is the molecular formula of Bobcat339 hydrochloride?
The molecular formula of Bobcat339 hydrochloride is C27H27ClN2O7.
What is the molecular weight of Bobcat339 hydrochloride?
The molecular weight of Bobcat339 hydrochloride is 526.15 g/mol.
Where can I buy Bobcat339 hydrochloride?
You can request a quote for Bobcat339 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bobcat339 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Bobcat339 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.