AB00096006-01
TL;DR: AB00096006-01 (CAS 313244-56-3) is a chemical compound with molecular formula C27H30N2O4 and molecular weight 446.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: AB00096006-01, 2-phenoxyethyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenoxyethyl 4-(4-(dimethylamino)phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenoxyethyl 4-(4-dimethylaminophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-phenoxyethyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C27H30N2O4 |
|---|---|
| Molecular Weight | 446.22 g/mol |
| LogP | 4.3427 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.22055 |
| Heavy Atoms | 33 |
| Complexity | 1084.8643 |
Chemical Identifiers
| CAS Number | 313244-56-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)N(C)C)C(=O)OCCOC4=CC=CC=C4 |
Product Overview
AB00096006-01 (CAS 313244-56-3), with molecular formula C27H30N2O4 and molecular weight 446.22 g/mol. IUPAC: 2-phenoxyethyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of AB00096006-01
Property Insights of AB00096006-01
The XLogP value of 4.3427 indicates that AB00096006-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00096006-01. Following Lipinski's Rule of Five, AB00096006-01 has 1 hydrogen bond donor(s) and 6 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 AB00096006-01?
The CAS number of AB00096006-01 is 313244-56-3.
What is the molecular formula of AB00096006-01?
The molecular formula of AB00096006-01 is C27H30N2O4.
What is the molecular weight of AB00096006-01?
The molecular weight of AB00096006-01 is 446.22 g/mol.
Where can I buy AB00096006-01?
You can request a quote for AB00096006-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00096006-01?
Yes, KEHONG BIO provides custom synthesis services for AB00096006-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.