F0837-0096
TL;DR: F0837-0096 (CAS 401814-13-9) is a chemical compound with molecular formula C31H32N4O3S2 and molecular weight 572.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(3-butoxyanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
Also Known As: F0837-0096, 6-((2-((3-butoxyphenyl)amino)-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide, 6-({[(3-butoxyphenyl)carbamoyl]methyl}sulfanyl)-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide, 6-({2-[(3-butoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide, 6-[2-(3-butoxyanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C31H32N4O3S2 |
|---|---|
| Molecular Weight | 572.19 g/mol |
| LogP | 6.942 |
| Topological Polar Surface Area | 103.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 572.1916 |
| Heavy Atoms | 40 |
| Complexity | 1471.6909 |
Chemical Identifiers
| CAS Number | 401814-13-9 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3C)C4=CC=CS4)C#N |
Product Overview
F0837-0096 (CAS 401814-13-9), with molecular formula C31H32N4O3S2 and molecular weight 572.19 g/mol. IUPAC: 6-[2-(3-butoxyanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of F0837-0096
Property Insights of F0837-0096
The XLogP value of 6.942 indicates that F0837-0096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.25 Ų falls within the moderate polarity range, balancing permeability and solubility for F0837-0096. Following Lipinski's Rule of Five, F0837-0096 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0837-0096?
The CAS number of F0837-0096 is 401814-13-9.
What is the molecular formula of F0837-0096?
The molecular formula of F0837-0096 is C31H32N4O3S2.
What is the molecular weight of F0837-0096?
The molecular weight of F0837-0096 is 572.19 g/mol.
Where can I buy F0837-0096?
You can request a quote for F0837-0096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0837-0096?
Yes, KEHONG BIO provides custom synthesis services for F0837-0096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.