BAS 01404413
TL;DR: BAS 01404413 (CAS 312596-12-6) is a chemical compound with molecular formula C27H26Cl3NO4 and molecular weight 533.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyethyl 7-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 01404413, 2-ethoxyethyl 7-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethoxyethyl 4-(2,4-dichlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,6,7 ,8-pentahydroquinoline-3-carboxylate, 2-ethoxyethyl 7-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C27H26Cl3NO4 |
|---|---|
| Molecular Weight | 533.09 g/mol |
| LogP | 6.5881 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 533.0927 |
| Heavy Atoms | 35 |
| Complexity | 1203.4071 |
Chemical Identifiers
| CAS Number | 312596-12-6 |
|---|---|
| SMILES | CCOCCOC(=O)C1=C(NC2=C(C1C3=C(C=C(C=C3)Cl)Cl)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C |
Product Overview
BAS 01404413 (CAS 312596-12-6), with molecular formula C27H26Cl3NO4 and molecular weight 533.09 g/mol. IUPAC: 2-ethoxyethyl 7-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 01404413
Property Insights of BAS 01404413
The XLogP value of 6.5881 indicates that BAS 01404413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01404413. Following Lipinski's Rule of Five, BAS 01404413 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 01404413?
The CAS number of BAS 01404413 is 312596-12-6.
What is the molecular formula of BAS 01404413?
The molecular formula of BAS 01404413 is C27H26Cl3NO4.
What is the molecular weight of BAS 01404413?
The molecular weight of BAS 01404413 is 533.09 g/mol.
Where can I buy BAS 01404413?
You can request a quote for BAS 01404413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01404413?
Yes, KEHONG BIO provides custom synthesis services for BAS 01404413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.