BAS 00381306
TL;DR: BAS 00381306 (CAS 292855-61-9) is a chemical compound with molecular formula C22H24N2O7 and molecular weight 428.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00381306, ethyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 2,7,7-trimethyl-4-(6-nitrobenzo[d][1,3]dioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 2,7,7-trimethyl-4-(6-nitro(2H-benzo[d]1,3-dioxolan-5-yl))-5-oxo-1,4,6,7, 8-pentahydroquinoline-3-carboxylate, ethyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C22H24N2O7 |
|---|---|
| Molecular Weight | 428.16 g/mol |
| LogP | 3.4906 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.15836 |
| Heavy Atoms | 31 |
| Complexity | 1067.8629 |
Chemical Identifiers
| CAS Number | 292855-61-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)CC(C2)(C)C)C |
Product Overview
BAS 00381306 (CAS 292855-61-9), with molecular formula C22H24N2O7 and molecular weight 428.16 g/mol. IUPAC: ethyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00381306
Property Insights of BAS 00381306
The XLogP value of 3.4906 indicates that BAS 00381306 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00381306. Following Lipinski's Rule of Five, BAS 00381306 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 BAS 00381306?
The CAS number of BAS 00381306 is 292855-61-9.
What is the molecular formula of BAS 00381306?
The molecular formula of BAS 00381306 is C22H24N2O7.
What is the molecular weight of BAS 00381306?
The molecular weight of BAS 00381306 is 428.16 g/mol.
Where can I buy BAS 00381306?
You can request a quote for BAS 00381306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00381306?
Yes, KEHONG BIO provides custom synthesis services for BAS 00381306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.