4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine
TL;DR: 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine (CAS 115596-50-4) is a chemical compound with molecular formula C10H18N4S and molecular weight 226.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2-dimethylthian-4-yl)-1H-pyrazole-3,5-diamine
Also Known As: 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine, 4-(2,2-dimethylthian-4-yl)-1H-pyrazole-3,5-diamine, 1H-Pyrazole-3,5-diamine, 4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-, 4-(2,2-Dimethylthian-4-yl)-5-imino-2,5-dihydro-1H-pyrazol-3-amine, BRN 5531908
| Molecular Formula | C10H18N4S |
|---|---|
| Molecular Weight | 226.13 g/mol |
| LogP | 1.9633 |
| Topological Polar Surface Area | 80.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.12521 |
| Heavy Atoms | 15 |
| Complexity | 338.8044 |
Chemical Identifiers
| CAS Number | 115596-50-4 |
|---|---|
| SMILES | CC1(CC(CCS1)C2=C(NN=C2N)N)C |
Product Overview
4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine (CAS 115596-50-4), with molecular formula C10H18N4S and molecular weight 226.13 g/mol. IUPAC: 4-(2,2-dimethylthian-4-yl)-1H-pyrazole-3,5-diamine.
Chemical Property Profile of 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine
Property Insights of 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine
The XLogP value of 1.9633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine. The TPSA of 80.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine. Following Lipinski's Rule of Five, 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine has 3 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 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine?
The CAS number of 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine is 115596-50-4.
What is the molecular formula of 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine?
The molecular formula of 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine is C10H18N4S.
What is the molecular weight of 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine?
The molecular weight of 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine is 226.13 g/mol.
Where can I buy 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine?
You can request a quote for 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.