ChemDiv3_015072
TL;DR: ChemDiv3_015072 (CAS 838844-88-5) is a chemical compound with molecular formula C20H15N7O2S and molecular weight 417.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
Also Known As: ChemDiv3_015072, CBKinase1_012215, CBKinase1_024615, 2-phenyl-6-{[(1-phenyl-1H-tetrazol-5-yl)thio]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione, 2-phenyl-6-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione
| Molecular Formula | C20H15N7O2S |
|---|---|
| Molecular Weight | 417.10 g/mol |
| LogP | 2.2751 |
| Topological Polar Surface Area | 114.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.1008 |
| Heavy Atoms | 30 |
| Complexity | 1435.0869 |
Chemical Identifiers
| CAS Number | 838844-88-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(N2)NC(=CC3=O)CSC4=NN=NN4C5=CC=CC=C5 |
Product Overview
ChemDiv3_015072 (CAS 838844-88-5), with molecular formula C20H15N7O2S and molecular weight 417.10 g/mol. IUPAC: 2-phenyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
Chemical Property Profile of ChemDiv3_015072
Property Insights of ChemDiv3_015072
The XLogP value of 2.2751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_015072. The TPSA of 114.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_015072. Following Lipinski's Rule of Five, ChemDiv3_015072 has 2 hydrogen bond donor(s) and 6 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 ChemDiv3_015072?
The CAS number of ChemDiv3_015072 is 838844-88-5.
What is the molecular formula of ChemDiv3_015072?
The molecular formula of ChemDiv3_015072 is C20H15N7O2S.
What is the molecular weight of ChemDiv3_015072?
The molecular weight of ChemDiv3_015072 is 417.10 g/mol.
Where can I buy ChemDiv3_015072?
You can request a quote for ChemDiv3_015072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_015072?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_015072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.