BAS 01404276
TL;DR: BAS 01404276 (CAS 312586-63-3) is a chemical compound with molecular formula C33H31BrClNO5 and molecular weight 635.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 01404276, 2-phenylethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenylethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl -5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate, 2-phenylethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-phenylethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C33H31BrClNO5 |
|---|---|
| Molecular Weight | 635.11 g/mol |
| LogP | 7.3543 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 635.1074 |
| Heavy Atoms | 41 |
| Complexity | 1531.173 |
Chemical Identifiers
| CAS Number | 312586-63-3 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCCC5=CC=CC=C5)C)Br)O |
Product Overview
BAS 01404276 (CAS 312586-63-3), with molecular formula C33H31BrClNO5 and molecular weight 635.11 g/mol. IUPAC: 2-phenylethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 01404276
Property Insights of BAS 01404276
The XLogP value of 7.3543 indicates that BAS 01404276 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01404276. Following Lipinski's Rule of Five, BAS 01404276 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01404276?
The CAS number of BAS 01404276 is 312586-63-3.
What is the molecular formula of BAS 01404276?
The molecular formula of BAS 01404276 is C33H31BrClNO5.
What is the molecular weight of BAS 01404276?
The molecular weight of BAS 01404276 is 635.11 g/mol.
Where can I buy BAS 01404276?
You can request a quote for BAS 01404276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01404276?
Yes, KEHONG BIO provides custom synthesis services for BAS 01404276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.