ChemDiv1_011487
TL;DR: ChemDiv1_011487 (CAS 312265-23-9) is a chemical compound with molecular formula C22H18N6OS and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: ChemDiv1_011487, A1680/0071722, 6-amino-3-{[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]methyl}-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C22H18N6OS |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.12628 |
| Heavy Atoms | 30 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 312265-23-9 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=CC=C4)C |
| InChIKey | KHACSUUZCFHEAX-UHFFFAOYSA-N |
Product Overview
ChemDiv1_011487 (CAS 312265-23-9), with molecular formula C22H18N6OS and molecular weight 414.13 g/mol. IUPAC: 6-amino-3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of ChemDiv1_011487
Property Insights of ChemDiv1_011487
The XLogP value of 3.7 indicates that ChemDiv1_011487 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting ChemDiv1_011487 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_011487 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_011487?
The CAS number of ChemDiv1_011487 is 312265-23-9.
What is the molecular formula of ChemDiv1_011487?
The molecular formula of ChemDiv1_011487 is C22H18N6OS.
What is the molecular weight of ChemDiv1_011487?
The molecular weight of ChemDiv1_011487 is 414.13 g/mol.
Where can I buy ChemDiv1_011487?
You can request a quote for ChemDiv1_011487 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011487?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011487 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.