A3162/0133767
TL;DR: A3162/0133767 (CAS 1005107-99-2) is a chemical compound with molecular formula C21H22N2O7 and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: A3162/0133767, dimethyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 3,6-DIMETHYL 2,7-DIMETHYL-4-(4-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3,6-DICARBOXYLATE, dimethyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
| Molecular Formula | C21H22N2O7 |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 2.3808 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.1427 |
| Heavy Atoms | 30 |
| Complexity | 991.1122 |
Chemical Identifiers
| CAS Number | 1005107-99-2 |
|---|---|
| SMILES | CC1CC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C1C(=O)OC |
Product Overview
A3162/0133767 (CAS 1005107-99-2), with molecular formula C21H22N2O7 and molecular weight 414.14 g/mol. IUPAC: dimethyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.
Chemical Property Profile of A3162/0133767
Property Insights of A3162/0133767
The XLogP value of 2.3808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3162/0133767. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for A3162/0133767. Following Lipinski's Rule of Five, A3162/0133767 has 1 hydrogen bond donor(s) and 8 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 A3162/0133767?
The CAS number of A3162/0133767 is 1005107-99-2.
What is the molecular formula of A3162/0133767?
The molecular formula of A3162/0133767 is C21H22N2O7.
What is the molecular weight of A3162/0133767?
The molecular weight of A3162/0133767 is 414.14 g/mol.
Where can I buy A3162/0133767?
You can request a quote for A3162/0133767 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3162/0133767?
Yes, KEHONG BIO provides custom synthesis services for A3162/0133767 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.