ChemDiv1_024561
TL;DR: ChemDiv1_024561 (CAS 380327-83-3) is a chemical compound with molecular formula C30H23ClN4O3S and molecular weight 554.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide
Also Known As: ChemDiv1_024561, F0894-0055, N-(4-CHLOROPHENYL)-5-CYANO-4-(FURAN-2-YL)-2-METHYL-6-({[(NAPHTHALEN-1-YL)CARBAMOYL]METHYL}SULFANYL)-1,4-DIHYDROPYRIDINE-3-CARBOXAMIDE, N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide, N-(4-chlorophenyl)-5-cyano-4-(2-furyl)-2-methyl-6-{[2-(1-naphthylamino)-2-oxoethyl]thio}-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C30H23ClN4O3S |
|---|---|
| Molecular Weight | 554.12 g/mol |
| LogP | 6.79278 |
| Topological Polar Surface Area | 107.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 554.1179 |
| Heavy Atoms | 39 |
| Complexity | 1648.546 |
Chemical Identifiers
| CAS Number | 380327-83-3 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC3=CC=CC=C32)C#N)C4=CC=CO4)C(=O)NC5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_024561 (CAS 380327-83-3), with molecular formula C30H23ClN4O3S and molecular weight 554.12 g/mol. IUPAC: N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of ChemDiv1_024561
Property Insights of ChemDiv1_024561
The XLogP value of 6.79278 indicates that ChemDiv1_024561 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024561. Following Lipinski's Rule of Five, ChemDiv1_024561 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_024561?
The CAS number of ChemDiv1_024561 is 380327-83-3.
What is the molecular formula of ChemDiv1_024561?
The molecular formula of ChemDiv1_024561 is C30H23ClN4O3S.
What is the molecular weight of ChemDiv1_024561?
The molecular weight of ChemDiv1_024561 is 554.12 g/mol.
Where can I buy ChemDiv1_024561?
You can request a quote for ChemDiv1_024561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024561?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.