ChemDiv1_028608
TL;DR: ChemDiv1_028608 (CAS 369395-25-5) is a chemical compound with molecular formula C17H17N3O3S2 and molecular weight 375.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_028608, AB00685688-01, F1155-0467, allyl 6-((2-amino-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C17H17N3O3S2 |
|---|---|
| Molecular Weight | 375.07 g/mol |
| LogP | 2.39178 |
| Topological Polar Surface Area | 105.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.07114 |
| Heavy Atoms | 25 |
| Complexity | 788.5601 |
Chemical Identifiers
| CAS Number | 369395-25-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CS2)C(=O)OCC=C |
Product Overview
ChemDiv1_028608 (CAS 369395-25-5), with molecular formula C17H17N3O3S2 and molecular weight 375.07 g/mol. IUPAC: prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028608
Property Insights of ChemDiv1_028608
The XLogP value of 2.39178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_028608. The TPSA of 105.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028608. Following Lipinski's Rule of Five, ChemDiv1_028608 has 2 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 ChemDiv1_028608?
The CAS number of ChemDiv1_028608 is 369395-25-5.
What is the molecular formula of ChemDiv1_028608?
The molecular formula of ChemDiv1_028608 is C17H17N3O3S2.
What is the molecular weight of ChemDiv1_028608?
The molecular weight of ChemDiv1_028608 is 375.07 g/mol.
Where can I buy ChemDiv1_028608?
You can request a quote for ChemDiv1_028608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028608?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.