![4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/1005/100519-60-6.webp)
4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 100519-60-6) is a chemical compound with molecular formula C12H18N4S and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-heptylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine
Also Known As: 4-(Heptylthio)-1H-pyrazolo[3,4-d]pyrimidine, 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine, 4-heptylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C12H18N4S |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.12521 |
| Heavy Atoms | 17 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 100519-60-6 |
|---|---|
| SMILES | CCCCCCCSC1=NC=NC2=C1C=NN2 |
| InChIKey | UKSDANWUJMXQJX-UHFFFAOYSA-N |
Product Overview
4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 100519-60-6), with molecular formula C12H18N4S and molecular weight 250.13 g/mol. IUPAC: 4-heptylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 3.9 indicates that 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine. Following Lipinski's Rule of Five, 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine has 1 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-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine is 100519-60-6.
What is the molecular formula of 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine is C12H18N4S.
What is the molecular weight of 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine is 250.13 g/mol.
Where can I buy 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(heptylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.