BAS 00326592
TL;DR: BAS 00326592 (CAS 330996-75-3) is a chemical compound with molecular formula C22H26INO3 and molecular weight 479.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-ethyl-4-(3-iodophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00326592, ethyl 2-ethyl-4-(3-iodophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 2-ethyl-4-(3-iodophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C22H26INO3 |
|---|---|
| Molecular Weight | 479.10 g/mol |
| LogP | 4.8484 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.09573 |
| Heavy Atoms | 27 |
| Complexity | 850.8688 |
Chemical Identifiers
| CAS Number | 330996-75-3 |
|---|---|
| SMILES | CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)I)C(=O)OCC |
Product Overview
BAS 00326592 (CAS 330996-75-3), with molecular formula C22H26INO3 and molecular weight 479.10 g/mol. IUPAC: ethyl 2-ethyl-4-(3-iodophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00326592
Property Insights of BAS 00326592
The XLogP value of 4.8484 indicates that BAS 00326592 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00326592 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00326592 has 1 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 00326592?
The CAS number of BAS 00326592 is 330996-75-3.
What is the molecular formula of BAS 00326592?
The molecular formula of BAS 00326592 is C22H26INO3.
What is the molecular weight of BAS 00326592?
The molecular weight of BAS 00326592 is 479.10 g/mol.
Where can I buy BAS 00326592?
You can request a quote for BAS 00326592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00326592?
Yes, KEHONG BIO provides custom synthesis services for BAS 00326592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.