BAS 01039368
TL;DR: BAS 01039368 (CAS 299449-70-0) 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-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 01039368, BIM-0021400.P001, propan-2-yl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 1-methylethyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, propan-2-yl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-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 | 299449-70-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3Cl)C(=O)OC(C)C |
Product Overview
BAS 01039368 (CAS 299449-70-0), with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol. IUPAC: propan-2-yl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 01039368
Property Insights of BAS 01039368
The XLogP value of 4.8956 indicates that BAS 01039368 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 01039368 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01039368 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 01039368?
The CAS number of BAS 01039368 is 299449-70-0.
What is the molecular formula of BAS 01039368?
The molecular formula of BAS 01039368 is C22H26ClNO3.
What is the molecular weight of BAS 01039368?
The molecular weight of BAS 01039368 is 387.16 g/mol.
Where can I buy BAS 01039368?
You can request a quote for BAS 01039368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01039368?
Yes, KEHONG BIO provides custom synthesis services for BAS 01039368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.