KST-1A6850
TL;DR: KST-1A6850 (CAS 6326-48-3) is a chemical compound with molecular formula C13H11N7 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-amino-4-imino-1-phenylpyrazolo[5,4-d]pyrimidin-3-yl)acetonitrile
Also Known As: KST-1A6850, [(4z)-5-amino-4-imino-1-phenyl-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile, 2-(5-amino-4-imino-1-phenylpyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile, (4-amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-acetonitrile, 2-(5-amino-4-imino-1-phenylpyrazolo[3,4-d]pyrimidin-3-yl)ace
| Molecular Formula | C13H11N7 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.1076 |
| Heavy Atoms | 20 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 6326-48-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C(=N2)CC#N)C(=N)N(C=N3)N |
| InChIKey | KKTFSWMNLZKKMC-UHFFFAOYSA-N |
Product Overview
KST-1A6850 (CAS 6326-48-3), with molecular formula C13H11N7 and molecular weight 265.11 g/mol. IUPAC: 2-(5-amino-4-imino-1-phenylpyrazolo[5,4-d]pyrimidin-3-yl)acetonitrile.
Chemical Property Profile of KST-1A6850
Property Insights of KST-1A6850
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A6850. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A6850. Following Lipinski's Rule of Five, KST-1A6850 has 2 hydrogen bond donor(s) and 5 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 KST-1A6850?
The CAS number of KST-1A6850 is 6326-48-3.
What is the molecular formula of KST-1A6850?
The molecular formula of KST-1A6850 is C13H11N7.
What is the molecular weight of KST-1A6850?
The molecular weight of KST-1A6850 is 265.11 g/mol.
Where can I buy KST-1A6850?
You can request a quote for KST-1A6850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A6850?
Yes, KEHONG BIO provides custom synthesis services for KST-1A6850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.