BAS 00411159
TL;DR: BAS 00411159 (CAS 126342-55-0) is a chemical compound with molecular formula C21H25NO4 and molecular weight 355.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00411159, J2.420.083C, AB00086329-01, methyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2,7,7-Trimethyl-4-(3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester
| Molecular Formula | C21H25NO4 |
|---|---|
| Molecular Weight | 355.18 g/mol |
| LogP | 3.4722 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.17834 |
| Heavy Atoms | 26 |
| Complexity | 832.1678 |
Chemical Identifiers
| CAS Number | 126342-55-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC)C(=O)OC |
Product Overview
BAS 00411159 (CAS 126342-55-0), with molecular formula C21H25NO4 and molecular weight 355.18 g/mol. IUPAC: methyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00411159
Property Insights of BAS 00411159
The XLogP value of 3.4722 indicates that BAS 00411159 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 00411159. Following Lipinski's Rule of Five, BAS 00411159 has 1 hydrogen bond donor(s) and 5 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 00411159?
The CAS number of BAS 00411159 is 126342-55-0.
What is the molecular formula of BAS 00411159?
The molecular formula of BAS 00411159 is C21H25NO4.
What is the molecular weight of BAS 00411159?
The molecular weight of BAS 00411159 is 355.18 g/mol.
Where can I buy BAS 00411159?
You can request a quote for BAS 00411159 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00411159?
Yes, KEHONG BIO provides custom synthesis services for BAS 00411159 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.