ChemDiv1_028735
TL;DR: ChemDiv1_028735 (CAS 370852-69-0) is a chemical compound with molecular formula C20H18N4O4S2 and molecular weight 442.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_028735, AE-848/40938564, allyl 5-cyano-4-(2-furyl)-2-methyl-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,4-dihydro-3-pyridinecarboxylate, allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate, allyl 6-methyl-2-(thiazol-2-ylcarbamoylmethyl-sulfanyl)-4-(2-furyl)-3-cyano-1,4-dihydropyridine-5-carboxylate
| Molecular Formula | C20H18N4O4S2 |
|---|---|
| Molecular Weight | 442.08 g/mol |
| LogP | 3.53318 |
| Topological Polar Surface Area | 117.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.07693 |
| Heavy Atoms | 30 |
| Complexity | 1033.5596 |
Chemical Identifiers
| CAS Number | 370852-69-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=NC=CS2)C#N)C3=CC=CO3)C(=O)OCC=C |
Product Overview
ChemDiv1_028735 (CAS 370852-69-0), with molecular formula C20H18N4O4S2 and molecular weight 442.08 g/mol. IUPAC: prop-2-enyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028735
Property Insights of ChemDiv1_028735
The XLogP value of 3.53318 indicates that ChemDiv1_028735 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028735. Following Lipinski's Rule of Five, ChemDiv1_028735 has 2 hydrogen bond donor(s) and 9 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 ChemDiv1_028735?
The CAS number of ChemDiv1_028735 is 370852-69-0.
What is the molecular formula of ChemDiv1_028735?
The molecular formula of ChemDiv1_028735 is C20H18N4O4S2.
What is the molecular weight of ChemDiv1_028735?
The molecular weight of ChemDiv1_028735 is 442.08 g/mol.
Where can I buy ChemDiv1_028735?
You can request a quote for ChemDiv1_028735 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028735?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028735 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.