BAS 00380790
TL;DR: BAS 00380790 (CAS 292852-41-6) 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.
methyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00380790, BIM-0009051.P001, methyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, methyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3- carboxylate
| Molecular Formula | C20H22INO3 |
|---|---|
| Molecular Weight | 451.06 g/mol |
| LogP | 4.0682 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.06445 |
| Heavy Atoms | 25 |
| Complexity | 819.9851 |
Chemical Identifiers
| CAS Number | 292852-41-6 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3I)C(=O)OC |
Product Overview
BAS 00380790 (CAS 292852-41-6), with molecular formula C20H22INO3 and molecular weight 451.06 g/mol. IUPAC: methyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00380790
Property Insights of BAS 00380790
The XLogP value of 4.0682 indicates that BAS 00380790 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 00380790 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00380790 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 00380790?
The CAS number of BAS 00380790 is 292852-41-6.
What is the molecular formula of BAS 00380790?
The molecular formula of BAS 00380790 is C20H22INO3.
What is the molecular weight of BAS 00380790?
The molecular weight of BAS 00380790 is 451.06 g/mol.
Where can I buy BAS 00380790?
You can request a quote for BAS 00380790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00380790?
Yes, KEHONG BIO provides custom synthesis services for BAS 00380790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.