BAS 00381602
TL;DR: BAS 00381602 (CAS 298706-74-8) is a chemical compound with molecular formula C19H20INO3 and molecular weight 437.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00381602, ethyl 4-(3-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 4-(3-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, Ethyl 4-(3-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, Ethyl 4-(3-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate #
| Molecular Formula | C19H20INO3 |
|---|---|
| Molecular Weight | 437.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.0488 |
| Heavy Atoms | 24 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 298706-74-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)I)C(=O)CCC2)C |
| InChIKey | WCCZUUPXLSARBA-UHFFFAOYSA-N |
Product Overview
BAS 00381602 (CAS 298706-74-8), with molecular formula C19H20INO3 and molecular weight 437.05 g/mol. IUPAC: ethyl 4-(3-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00381602
Property Insights of BAS 00381602
The XLogP value of 3.5 indicates that BAS 00381602 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 00381602 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00381602 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 00381602?
The CAS number of BAS 00381602 is 298706-74-8.
What is the molecular formula of BAS 00381602?
The molecular formula of BAS 00381602 is C19H20INO3.
What is the molecular weight of BAS 00381602?
The molecular weight of BAS 00381602 is 437.05 g/mol.
Where can I buy BAS 00381602?
You can request a quote for BAS 00381602 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00381602?
Yes, KEHONG BIO provides custom synthesis services for BAS 00381602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.