BAS 00349536
TL;DR: BAS 00349536 (CAS 5467-29-8) is a chemical compound with molecular formula C24H22INO3 and molecular weight 499.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-iodophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00349536, methyl 4-(2-iodophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, methyl 4-(2-iodophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 1,2-bis(2-methylbiphenyl-4-yl)-1,2-diphenylethane-1,2-diol, methyl 4-(2-iodophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C24H22INO3 |
|---|---|
| Molecular Weight | 499.06 g/mol |
| LogP | 4.8258 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.06445 |
| Heavy Atoms | 29 |
| Complexity | 1039.1011 |
Chemical Identifiers
| CAS Number | 5467-29-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4I)C(=O)OC |
Product Overview
BAS 00349536 (CAS 5467-29-8), with molecular formula C24H22INO3 and molecular weight 499.06 g/mol. IUPAC: methyl 4-(2-iodophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00349536
Property Insights of BAS 00349536
The XLogP value of 4.8258 indicates that BAS 00349536 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 00349536 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00349536 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 00349536?
The CAS number of BAS 00349536 is 5467-29-8.
What is the molecular formula of BAS 00349536?
The molecular formula of BAS 00349536 is C24H22INO3.
What is the molecular weight of BAS 00349536?
The molecular weight of BAS 00349536 is 499.06 g/mol.
Where can I buy BAS 00349536?
You can request a quote for BAS 00349536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00349536?
Yes, KEHONG BIO provides custom synthesis services for BAS 00349536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.