BAS 01404552
TL;DR: BAS 01404552 (CAS 299453-61-5) 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.
benzyl 4-(2-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 01404552, BIM-0042449.P001, benzyl 4-(2-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 4-(2-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, benzyl 4-(2-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C24H22INO3 |
|---|---|
| Molecular Weight | 499.06 g/mol |
| LogP | 5.0025 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.06445 |
| Heavy Atoms | 29 |
| Complexity | 1023.4311 |
Chemical Identifiers
| CAS Number | 299453-61-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3I)C(=O)OCC4=CC=CC=C4 |
Product Overview
BAS 01404552 (CAS 299453-61-5), with molecular formula C24H22INO3 and molecular weight 499.06 g/mol. IUPAC: benzyl 4-(2-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 01404552
Property Insights of BAS 01404552
The XLogP value of 5.0025 indicates that BAS 01404552 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 01404552 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01404552 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01404552?
The CAS number of BAS 01404552 is 299453-61-5.
What is the molecular formula of BAS 01404552?
The molecular formula of BAS 01404552 is C24H22INO3.
What is the molecular weight of BAS 01404552?
The molecular weight of BAS 01404552 is 499.06 g/mol.
Where can I buy BAS 01404552?
You can request a quote for BAS 01404552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01404552?
Yes, KEHONG BIO provides custom synthesis services for BAS 01404552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.