BAS 00329639
TL;DR: BAS 00329639 (CAS 220598-57-2) is a chemical compound with molecular formula C21H19NO4 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 11,11-dimethyl-1,2-dioxo-10H-naphtho[1,2-g]indolizine-3-carboxylate
Also Known As: BAS 00329639, AI-020/08315015, Ethyl 5,6,8,9-tetrahydro-6,6-dimethyl-8,9-dioxobenzo[f]pyrrolo[2,1-a]isoquinoline-10-carboxylate, ethyl 6,6-dimethyl-8,9-dioxo-5,6,8,9-tetrahydrobenzo[f]pyrrolo[2,1-a]isoquinoline-10-carboxylate, 6,6-Dimethyl-8,9-dioxo-5,6,8,9-tetrahydro-benzo[f]pyrrolo[2,1-a]isoquinoline-10-carboxylic acid ethyl ester
| Molecular Formula | C21H19NO4 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | 2.86 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.1314 |
| Heavy Atoms | 26 |
| Complexity | 1015.8431 |
Chemical Identifiers
| CAS Number | 220598-57-2 |
|---|---|
| SMILES | CCOC(=O)C1=C2C3=C(CC(N2C(=O)C1=O)(C)C)C4=CC=CC=C4C=C3 |
Product Overview
BAS 00329639 (CAS 220598-57-2), with molecular formula C21H19NO4 and molecular weight 349.13 g/mol. IUPAC: ethyl 11,11-dimethyl-1,2-dioxo-10H-naphtho[1,2-g]indolizine-3-carboxylate.
Chemical Property Profile of BAS 00329639
Property Insights of BAS 00329639
The XLogP value of 2.86 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00329639. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00329639. Following Lipinski's Rule of Five, BAS 00329639 has 0 hydrogen bond donor(s) and 4 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 00329639?
The CAS number of BAS 00329639 is 220598-57-2.
What is the molecular formula of BAS 00329639?
The molecular formula of BAS 00329639 is C21H19NO4.
What is the molecular weight of BAS 00329639?
The molecular weight of BAS 00329639 is 349.13 g/mol.
Where can I buy BAS 00329639?
You can request a quote for BAS 00329639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00329639?
Yes, KEHONG BIO provides custom synthesis services for BAS 00329639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.