BAS 09589389
TL;DR: BAS 09589389 (CAS 1005032-45-0) is a chemical compound with molecular formula C23H25NO7 and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 6-O-methyl 4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: BAS 09589389, 3-ethyl 6-methyl 4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 3-ETHYL 6-METHYL 4-(2H-1,3-BENZODIOXOL-5-YL)-2,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3,6-DICARBOXYLATE, 3-O-ethyl 6-O-methyl (4R,6S,7S)-4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate, 3-O-ethyl 6-O-methyl 4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
| Molecular Formula | C23H25NO7 |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 2.5914 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.16312 |
| Heavy Atoms | 31 |
| Complexity | 1022.75134 |
Chemical Identifiers
| CAS Number | 1005032-45-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)C(C(C2)C)C(=O)OC)C |
Product Overview
BAS 09589389 (CAS 1005032-45-0), with molecular formula C23H25NO7 and molecular weight 427.16 g/mol. IUPAC: 3-O-ethyl 6-O-methyl 4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.
Chemical Property Profile of BAS 09589389
Property Insights of BAS 09589389
The XLogP value of 2.5914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09589389. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09589389. Following Lipinski's Rule of Five, BAS 09589389 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 09589389?
The CAS number of BAS 09589389 is 1005032-45-0.
What is the molecular formula of BAS 09589389?
The molecular formula of BAS 09589389 is C23H25NO7.
What is the molecular weight of BAS 09589389?
The molecular weight of BAS 09589389 is 427.16 g/mol.
Where can I buy BAS 09589389?
You can request a quote for BAS 09589389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09589389?
Yes, KEHONG BIO provides custom synthesis services for BAS 09589389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.