BAS 00381558
TL;DR: BAS 00381558 (CAS 299407-80-0) is a chemical compound with molecular formula C20H22ClNO3 and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00381558, BIM-0020805.P001, propan-2-yl 4-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, isopropyl 4-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, propan-2-yl 4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C20H22ClNO3 |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 4.2595 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.1288 |
| Heavy Atoms | 25 |
| Complexity | 774.6359 |
Chemical Identifiers
| CAS Number | 299407-80-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)Cl)C(=O)OC(C)C |
Product Overview
BAS 00381558 (CAS 299407-80-0), with molecular formula C20H22ClNO3 and molecular weight 359.13 g/mol. IUPAC: propan-2-yl 4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00381558
Property Insights of BAS 00381558
The XLogP value of 4.2595 indicates that BAS 00381558 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 00381558 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00381558 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 00381558?
The CAS number of BAS 00381558 is 299407-80-0.
What is the molecular formula of BAS 00381558?
The molecular formula of BAS 00381558 is C20H22ClNO3.
What is the molecular weight of BAS 00381558?
The molecular weight of BAS 00381558 is 359.13 g/mol.
Where can I buy BAS 00381558?
You can request a quote for BAS 00381558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00381558?
Yes, KEHONG BIO provides custom synthesis services for BAS 00381558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.