F1155-0116
TL;DR: F1155-0116 (CAS 383896-52-4) is a chemical compound with molecular formula C31H27ClN4O2S and molecular weight 554.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
Also Known As: F1155-0116, 4-(4-chlorophenyl)-5-cyano-6-((2-((3,4-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-N-(o-tolyl)nicotinamide, 4-(4-CHLOROPHENYL)-5-CYANO-6-({[(3,4-DIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-2-METHYL-N-(2-METHYLPHENYL)PYRIDINE-3-CARBOXAMIDE, 4-(4-chlorophenyl)-5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide, 4-(4-chlorophenyl)-5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
| Molecular Formula | C31H27ClN4O2S |
|---|---|
| Molecular Weight | 554.15 g/mol |
| LogP | 7.49046 |
| Topological Polar Surface Area | 94.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 554.1543 |
| Heavy Atoms | 39 |
| Complexity | 1610.6565 |
Chemical Identifiers
| CAS Number | 383896-52-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=C(C(=C2C#N)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4C)C)C |
Product Overview
F1155-0116 (CAS 383896-52-4), with molecular formula C31H27ClN4O2S and molecular weight 554.15 g/mol. IUPAC: 4-(4-chlorophenyl)-5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide.
Chemical Property Profile of F1155-0116
Property Insights of F1155-0116
The XLogP value of 7.49046 indicates that F1155-0116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.88 Ų falls within the moderate polarity range, balancing permeability and solubility for F1155-0116. Following Lipinski's Rule of Five, F1155-0116 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1155-0116?
The CAS number of F1155-0116 is 383896-52-4.
What is the molecular formula of F1155-0116?
The molecular formula of F1155-0116 is C31H27ClN4O2S.
What is the molecular weight of F1155-0116?
The molecular weight of F1155-0116 is 554.15 g/mol.
Where can I buy F1155-0116?
You can request a quote for F1155-0116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1155-0116?
Yes, KEHONG BIO provides custom synthesis services for F1155-0116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.