BAS 00411187
TL;DR: BAS 00411187 (CAS 299948-50-8) is a chemical compound with molecular formula C23H28ClNO3 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00411187, BIM-0020394.P001, butyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, butyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, butyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3 -carboxylate
| Molecular Formula | C23H28ClNO3 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 5.2873 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.17578 |
| Heavy Atoms | 28 |
| Complexity | 866.35333 |
Chemical Identifiers
| CAS Number | 299948-50-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Cl)C(=O)CC(C2)(C)C)C |
Product Overview
BAS 00411187 (CAS 299948-50-8), with molecular formula C23H28ClNO3 and molecular weight 401.18 g/mol. IUPAC: butyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00411187
Property Insights of BAS 00411187
The XLogP value of 5.2873 indicates that BAS 00411187 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 00411187 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00411187 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00411187?
The CAS number of BAS 00411187 is 299948-50-8.
What is the molecular formula of BAS 00411187?
The molecular formula of BAS 00411187 is C23H28ClNO3.
What is the molecular weight of BAS 00411187?
The molecular weight of BAS 00411187 is 401.18 g/mol.
Where can I buy BAS 00411187?
You can request a quote for BAS 00411187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00411187?
Yes, KEHONG BIO provides custom synthesis services for BAS 00411187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.