BAS 01039399
TL;DR: BAS 01039399 (CAS 298706-76-0) is a chemical compound with molecular formula C18H18INO3 and molecular weight 423.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 01039399, methyl 4-(3-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, AB00086486-01, Methyl 4-(3-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, methyl 4-(3-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C18H18INO3 |
|---|---|
| Molecular Weight | 423.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.03314 |
| Heavy Atoms | 23 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 298706-76-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)I)C(=O)OC |
| InChIKey | DTBZMXXUQYDGCJ-UHFFFAOYSA-N |
Product Overview
BAS 01039399 (CAS 298706-76-0), with molecular formula C18H18INO3 and molecular weight 423.03 g/mol. IUPAC: methyl 4-(3-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 01039399
Property Insights of BAS 01039399
The XLogP value of 3.1 indicates that BAS 01039399 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 01039399 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01039399 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 01039399?
The CAS number of BAS 01039399 is 298706-76-0.
What is the molecular formula of BAS 01039399?
The molecular formula of BAS 01039399 is C18H18INO3.
What is the molecular weight of BAS 01039399?
The molecular weight of BAS 01039399 is 423.03 g/mol.
Where can I buy BAS 01039399?
You can request a quote for BAS 01039399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01039399?
Yes, KEHONG BIO provides custom synthesis services for BAS 01039399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.