ChemDiv1_011783
TL;DR: ChemDiv1_011783 (CAS 309278-36-2) is a chemical compound with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-2-methyl-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_011783, BAS 01102238, A2128/0089324, 6-Amino-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)-phenyl]-2-methyl-4H-pyran-3-carboxylic acid methyl ester, methyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 3.63718 |
| Topological Polar Surface Area | 107.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1057.7975 |
Chemical Identifiers
| CAS Number | 309278-36-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3)C(=O)OC |
Product Overview
ChemDiv1_011783 (CAS 309278-36-2), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: methyl 6-amino-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_011783
Property Insights of ChemDiv1_011783
The XLogP value of 3.63718 indicates that ChemDiv1_011783 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011783. Following Lipinski's Rule of Five, ChemDiv1_011783 has 1 hydrogen bond donor(s) and 8 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_011783?
The CAS number of ChemDiv1_011783 is 309278-36-2.
What is the molecular formula of ChemDiv1_011783?
The molecular formula of ChemDiv1_011783 is C22H21N3O4S.
What is the molecular weight of ChemDiv1_011783?
The molecular weight of ChemDiv1_011783 is 423.13 g/mol.
Where can I buy ChemDiv1_011783?
You can request a quote for ChemDiv1_011783 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011783?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011783 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.