BAS 00381106
TL;DR: BAS 00381106 (CAS 292853-20-4) is a chemical compound with molecular formula C20H22BrNO3 and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00381106, methyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, METHYL 4-(4-BROMOPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATE, methyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, 4-(4-Bromophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-3-quinolinecarboxylic acid methyl ester
| Molecular Formula | C20H22BrNO3 |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 4.2261 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.0783 |
| Heavy Atoms | 25 |
| Complexity | 802.7351 |
Chemical Identifiers
| CAS Number | 292853-20-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Br)C(=O)OC |
Product Overview
BAS 00381106 (CAS 292853-20-4), with molecular formula C20H22BrNO3 and molecular weight 403.08 g/mol. IUPAC: methyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00381106
Property Insights of BAS 00381106
The XLogP value of 4.2261 indicates that BAS 00381106 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00381106 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00381106 has 1 hydrogen bond donor(s) and 4 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 00381106?
The CAS number of BAS 00381106 is 292853-20-4.
What is the molecular formula of BAS 00381106?
The molecular formula of BAS 00381106 is C20H22BrNO3.
What is the molecular weight of BAS 00381106?
The molecular weight of BAS 00381106 is 403.08 g/mol.
Where can I buy BAS 00381106?
You can request a quote for BAS 00381106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00381106?
Yes, KEHONG BIO provides custom synthesis services for BAS 00381106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.