AB00095972-01
TL;DR: AB00095972-01 (CAS 5757-72-2) is a chemical compound with molecular formula C26H27ClN2O3 and molecular weight 450.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(2-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: AB00095972-01, methyl 7-(2-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 7-(2-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, methyl 4-[4-(dimethylamino)phenyl]-7-(2-chlorophenyl)-2-methyl-5-oxo-1,4,6,7,8 -pentahydroquinoline-3-carboxylate, methyl 7-(2-chlorophenyl)-4-(4-dimethylaminophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C26H27ClN2O3 |
|---|---|
| Molecular Weight | 450.17 g/mol |
| LogP | 4.9406 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.17102 |
| Heavy Atoms | 32 |
| Complexity | 1132.0159 |
Chemical Identifiers
| CAS Number | 5757-72-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3Cl)C4=CC=C(C=C4)N(C)C)C(=O)OC |
Product Overview
AB00095972-01 (CAS 5757-72-2), with molecular formula C26H27ClN2O3 and molecular weight 450.17 g/mol. IUPAC: methyl 7-(2-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of AB00095972-01
Property Insights of AB00095972-01
The XLogP value of 4.9406 indicates that AB00095972-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, AB00095972-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00095972-01 has 1 hydrogen bond donor(s) and 5 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 AB00095972-01?
The CAS number of AB00095972-01 is 5757-72-2.
What is the molecular formula of AB00095972-01?
The molecular formula of AB00095972-01 is C26H27ClN2O3.
What is the molecular weight of AB00095972-01?
The molecular weight of AB00095972-01 is 450.17 g/mol.
Where can I buy AB00095972-01?
You can request a quote for AB00095972-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00095972-01?
Yes, KEHONG BIO provides custom synthesis services for AB00095972-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.