BAS 01235490
TL;DR: BAS 01235490 (CAS 256379-14-3) is a chemical compound with molecular formula C18H17IN2O5S and molecular weight 499.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-4-(2-iodophenyl)-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: BAS 01235490, ethyl 5-cyano-4-(2-iodophenyl)-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, ethyl 5-cyano-4-(2-iodophenyl)-6-((2-methoxy-2-oxoethyl)thio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, ethyl 5-cyano-4-(2-iodophenyl)-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, methyl 2-[3-cyano-5-(ethoxycarbonyl)-4-(2-iodophenyl)-6-oxo-2-1,4,5-trihydropy ridylthio]acetate
| Molecular Formula | C18H17IN2O5S |
|---|---|
| Molecular Weight | 499.99 g/mol |
| LogP | 2.32528 |
| Topological Polar Surface Area | 105.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.9903 |
| Heavy Atoms | 27 |
| Complexity | 833.2861 |
Chemical Identifiers
| CAS Number | 256379-14-3 |
|---|---|
| SMILES | CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)OC)C#N)C2=CC=CC=C2I |
Product Overview
BAS 01235490 (CAS 256379-14-3), with molecular formula C18H17IN2O5S and molecular weight 499.99 g/mol. IUPAC: ethyl 5-cyano-4-(2-iodophenyl)-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of BAS 01235490
Property Insights of BAS 01235490
The XLogP value of 2.32528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01235490. The TPSA of 105.49 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01235490. Following Lipinski's Rule of Five, BAS 01235490 has 1 hydrogen bond donor(s) and 7 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 01235490?
The CAS number of BAS 01235490 is 256379-14-3.
What is the molecular formula of BAS 01235490?
The molecular formula of BAS 01235490 is C18H17IN2O5S.
What is the molecular weight of BAS 01235490?
The molecular weight of BAS 01235490 is 499.99 g/mol.
Where can I buy BAS 01235490?
You can request a quote for BAS 01235490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01235490?
Yes, KEHONG BIO provides custom synthesis services for BAS 01235490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.