BAS 00410793
TL;DR: BAS 00410793 (CAS 299451-83-5) is a chemical compound with molecular formula C20H22INO3 and molecular weight 451.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(4-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00410793, 1-methylethyl 4-(4-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, propan-2-yl 4-(4-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, propan-2-yl 4-(4-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, methylethyl 4-(4-iodophenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-ca rboxylate
| Molecular Formula | C20H22INO3 |
|---|---|
| Molecular Weight | 451.06 g/mol |
| LogP | 4.2107 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.06445 |
| Heavy Atoms | 25 |
| Complexity | 774.6359 |
Chemical Identifiers
| CAS Number | 299451-83-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)I)C(=O)OC(C)C |
Product Overview
BAS 00410793 (CAS 299451-83-5), with molecular formula C20H22INO3 and molecular weight 451.06 g/mol. IUPAC: propan-2-yl 4-(4-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00410793
Property Insights of BAS 00410793
The XLogP value of 4.2107 indicates that BAS 00410793 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 00410793 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00410793 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 00410793?
The CAS number of BAS 00410793 is 299451-83-5.
What is the molecular formula of BAS 00410793?
The molecular formula of BAS 00410793 is C20H22INO3.
What is the molecular weight of BAS 00410793?
The molecular weight of BAS 00410793 is 451.06 g/mol.
Where can I buy BAS 00410793?
You can request a quote for BAS 00410793 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410793?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410793 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.