BAS 06970112
TL;DR: BAS 06970112 (CAS 666207-79-0) is a chemical compound with molecular formula C22H26ClNO5 and molecular weight 419.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 06970112, AN-465/41856692, methyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, methyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, methyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C22H26ClNO5 |
|---|---|
| Molecular Weight | 419.15 g/mol |
| LogP | 4.2213 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.14996 |
| Heavy Atoms | 29 |
| Complexity | 944.7662 |
Chemical Identifiers
| CAS Number | 666207-79-0 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C)Cl)O |
Product Overview
BAS 06970112 (CAS 666207-79-0), with molecular formula C22H26ClNO5 and molecular weight 419.15 g/mol. IUPAC: methyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 06970112
Property Insights of BAS 06970112
The XLogP value of 4.2213 indicates that BAS 06970112 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 06970112. Following Lipinski's Rule of Five, BAS 06970112 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 06970112?
The CAS number of BAS 06970112 is 666207-79-0.
What is the molecular formula of BAS 06970112?
The molecular formula of BAS 06970112 is C22H26ClNO5.
What is the molecular weight of BAS 06970112?
The molecular weight of BAS 06970112 is 419.15 g/mol.
Where can I buy BAS 06970112?
You can request a quote for BAS 06970112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06970112?
Yes, KEHONG BIO provides custom synthesis services for BAS 06970112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.