BAS 00329654
TL;DR: BAS 00329654 (CAS 163769-82-2) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5-dimethyl-2,3-dioxo-6H-pyrrolo[2,1-a]isoquinoline-1-carboxylate
Also Known As: BAS 00329654, ethyl 5,5-dimethyl-2,3-dioxo-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxylate, ethyl 5,5-dimethyl-2,3-dioxo-6H-pyrrolo[2,1-a]isoquinoline-1-carboxylate, ETHYL 5,5-DIMETHYL-2,3-DIOXO-2H,3H,5H,6H-PYRROLO[2,1-A]ISOQUINOLINE-1-CARBOXYLATE
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 1.7068 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 729.92944 |
Chemical Identifiers
| CAS Number | 163769-82-2 |
|---|---|
| SMILES | CCOC(=O)C1=C2C3=CC=CC=C3CC(N2C(=O)C1=O)(C)C |
Product Overview
BAS 00329654 (CAS 163769-82-2), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: ethyl 5,5-dimethyl-2,3-dioxo-6H-pyrrolo[2,1-a]isoquinoline-1-carboxylate.
Chemical Property Profile of BAS 00329654
Property Insights of BAS 00329654
The XLogP value of 1.7068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00329654. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00329654. Following Lipinski's Rule of Five, BAS 00329654 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 00329654?
The CAS number of BAS 00329654 is 163769-82-2.
What is the molecular formula of BAS 00329654?
The molecular formula of BAS 00329654 is C17H17NO4.
What is the molecular weight of BAS 00329654?
The molecular weight of BAS 00329654 is 299.12 g/mol.
Where can I buy BAS 00329654?
You can request a quote for BAS 00329654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00329654?
Yes, KEHONG BIO provides custom synthesis services for BAS 00329654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.