ChemDiv1_002182
TL;DR: ChemDiv1_002182 (CAS 313380-24-4) is a chemical compound with molecular formula C28H23N5O4S and molecular weight 525.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_002182, ethyl 6-amino-5-cyano-2-[({5-cyano-[2,4'-bipyridine]-6-yl}sulfanyl)methyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate, 2-amino-3-cyano-4-(4-methoxyphenyl)-5-ethoxocarbonyl-6-5-(2'-(3'-cyano-6'-(4-pyridayl)pyridyl))thiomethyl-1,4-dihydropyran, 6-Amino-5-cyano-2-(5-cyano-[2,4']bipyridinyl-6-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-carb oxylic acid ethyl ester
| Molecular Formula | C28H23N5O4S |
|---|---|
| Molecular Weight | 525.15 g/mol |
| LogP | 4.44106 |
| Topological Polar Surface Area | 144.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.1471 |
| Heavy Atoms | 38 |
| Complexity | 1488.3639 |
Chemical Identifiers
| CAS Number | 313380-24-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OC)C#N)N)CSC3=C(C=CC(=N3)C4=CC=NC=C4)C#N |
Product Overview
ChemDiv1_002182 (CAS 313380-24-4), with molecular formula C28H23N5O4S and molecular weight 525.15 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_002182
Property Insights of ChemDiv1_002182
The XLogP value of 4.44106 indicates that ChemDiv1_002182 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.14 Ų indicates high polarity, suggesting ChemDiv1_002182 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_002182 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002182?
The CAS number of ChemDiv1_002182 is 313380-24-4.
What is the molecular formula of ChemDiv1_002182?
The molecular formula of ChemDiv1_002182 is C28H23N5O4S.
What is the molecular weight of ChemDiv1_002182?
The molecular weight of ChemDiv1_002182 is 525.15 g/mol.
Where can I buy ChemDiv1_002182?
You can request a quote for ChemDiv1_002182 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002182?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002182 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.