BAS 01052130
TL;DR: BAS 01052130 (CAS 329073-40-7) is a chemical compound with molecular formula C31H27ClFNO3 and molecular weight 515.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 7-(4-chlorophenyl)-4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 01052130, 2-phenylethyl 7-(4-chlorophenyl)-4-(2-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenylethyl 7-(4-chlorophenyl)-4-(2-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-phenylethyl 7-(4-chlorophenyl)-4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-phenylethyl 7-(4-chlorophenyl)-4-(2-fluorophenyl)-2-methyl-5-oxo-1,4,6,7,8-p entahydroquinoline-3-carboxylate
| Molecular Formula | C31H27ClFNO3 |
|---|---|
| Molecular Weight | 515.17 g/mol |
| LogP | 6.6266 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.1663 |
| Heavy Atoms | 37 |
| Complexity | 1395.4652 |
Chemical Identifiers
| CAS Number | 329073-40-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4F)C(=O)OCCC5=CC=CC=C5 |
Product Overview
BAS 01052130 (CAS 329073-40-7), with molecular formula C31H27ClFNO3 and molecular weight 515.17 g/mol. IUPAC: 2-phenylethyl 7-(4-chlorophenyl)-4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 01052130
Property Insights of BAS 01052130
The XLogP value of 6.6266 indicates that BAS 01052130 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 01052130 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01052130 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 01052130?
The CAS number of BAS 01052130 is 329073-40-7.
What is the molecular formula of BAS 01052130?
The molecular formula of BAS 01052130 is C31H27ClFNO3.
What is the molecular weight of BAS 01052130?
The molecular weight of BAS 01052130 is 515.17 g/mol.
Where can I buy BAS 01052130?
You can request a quote for BAS 01052130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01052130?
Yes, KEHONG BIO provides custom synthesis services for BAS 01052130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.