BAS 01039296
TL;DR: BAS 01039296 (CAS 299946-39-7) is a chemical compound with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 01039296, propan-2-yl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 1-methylethyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, propan-2-yl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, isopropyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C22H26ClNO3 |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | 4.8956 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.16013 |
| Heavy Atoms | 27 |
| Complexity | 864.0638 |
Chemical Identifiers
| CAS Number | 299946-39-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)Cl)C(=O)OC(C)C |
Product Overview
BAS 01039296 (CAS 299946-39-7), with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol. IUPAC: propan-2-yl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 01039296
Property Insights of BAS 01039296
The XLogP value of 4.8956 indicates that BAS 01039296 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 01039296 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01039296 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 01039296?
The CAS number of BAS 01039296 is 299946-39-7.
What is the molecular formula of BAS 01039296?
The molecular formula of BAS 01039296 is C22H26ClNO3.
What is the molecular weight of BAS 01039296?
The molecular weight of BAS 01039296 is 387.16 g/mol.
Where can I buy BAS 01039296?
You can request a quote for BAS 01039296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01039296?
Yes, KEHONG BIO provides custom synthesis services for BAS 01039296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.