BAS 01052181
TL;DR: BAS 01052181 (CAS 330850-83-4) is a chemical compound with molecular formula C29H31BrClNO5 and molecular weight 587.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 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 01052181, 2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, isobutyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methy l-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate
| Molecular Formula | C29H31BrClNO5 |
|---|---|
| Molecular Weight | 587.11 g/mol |
| LogP | 6.7676 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 587.1074 |
| Heavy Atoms | 37 |
| Complexity | 1281.9474 |
Chemical Identifiers
| CAS Number | 330850-83-4 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCC(C)C)C)Br)O |
Product Overview
BAS 01052181 (CAS 330850-83-4), with molecular formula C29H31BrClNO5 and molecular weight 587.11 g/mol. IUPAC: 2-methylpropyl 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 01052181
Property Insights of BAS 01052181
The XLogP value of 6.7676 indicates that BAS 01052181 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 01052181. Following Lipinski's Rule of Five, BAS 01052181 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 01052181?
The CAS number of BAS 01052181 is 330850-83-4.
What is the molecular formula of BAS 01052181?
The molecular formula of BAS 01052181 is C29H31BrClNO5.
What is the molecular weight of BAS 01052181?
The molecular weight of BAS 01052181 is 587.11 g/mol.
Where can I buy BAS 01052181?
You can request a quote for BAS 01052181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01052181?
Yes, KEHONG BIO provides custom synthesis services for BAS 01052181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.