![6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine structure](/static/products/917/91719-97-0.png)
6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine
TL;DR: 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine (CAS 91719-97-0) is a chemical compound with molecular formula C12H13N5O4S and molecular weight 323.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanylacetonitrile
Also Known As: 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine, 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanylacetonitrile
| Molecular Formula | C12H13N5O4S |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.06882 |
| Heavy Atoms | 22 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 91719-97-0 |
|---|---|
| SMILES | C1=NC2=C(C(=N1)SCC#N)N=CN2C3C(C(C(O3)CO)O)O |
| InChIKey | KJOWTVDJUCEMNI-UHFFFAOYSA-N |
Product Overview
6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine (CAS 91719-97-0), with molecular formula C12H13N5O4S and molecular weight 323.07 g/mol. IUPAC: 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanylacetonitrile.
Chemical Property Profile of 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine
Property Insights of 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine
The XLogP value of -0.1 indicates that 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine has 3 hydrogen bond donor(s) and 9 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 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine?
The CAS number of 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine is 91719-97-0.
What is the molecular formula of 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine?
The molecular formula of 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine is C12H13N5O4S.
What is the molecular weight of 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine?
The molecular weight of 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine is 323.07 g/mol.
Where can I buy 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine?
You can request a quote for 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-[(Cyanomethyl)sulfanyl]-9-pentofuranosyl-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.