1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine
TL;DR: 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine (CAS 65297-96-3) is a chemical compound with molecular formula C15H16N4S and molecular weight 284.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-7-methylsulfanyl-1-phenyl-6H-pyrazolo[4,5-b][1,4]diazepine
Also Known As: 5H-[1]Benzopyrano[3,4-b]pyridin-5-one, 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine, 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo diazepine, 3,5-dimethyl-7-methylsulfanyl-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine, 3,5-dimethyl-7-methylsulfanyl-1-phenyl-6H-pyrazolo[3,4-b][1,
| Molecular Formula | C15H16N4S |
|---|---|
| Molecular Weight | 284.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.10956 |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 65297-96-3 |
|---|---|
| SMILES | CC1=NC2=C(N=C(C1)SC)N(N=C2C)C3=CC=CC=C3 |
| InChIKey | YXFHJPGZFAGVJF-UHFFFAOYSA-N |
Product Overview
1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine (CAS 65297-96-3), with molecular formula C15H16N4S and molecular weight 284.11 g/mol. IUPAC: 3,5-dimethyl-7-methylsulfanyl-1-phenyl-6H-pyrazolo[4,5-b][1,4]diazepine.
Chemical Property Profile of 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine
Property Insights of 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine. Following Lipinski's Rule of Five, 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine has 0 hydrogen bond donor(s) and 4 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 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine?
The CAS number of 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine is 65297-96-3.
What is the molecular formula of 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine?
The molecular formula of 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine is C15H16N4S.
What is the molecular weight of 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine?
The molecular weight of 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine is 284.11 g/mol.
Where can I buy 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine?
You can request a quote for 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.