![7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile structure](/static/products/7858/78582-22-6.webp)
7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile
TL;DR: 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile (CAS 78582-22-6) is a chemical compound with molecular formula C13H12N6O4 and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carbonitrile
Also Known As: 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile, 10-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carbonitrile
| Molecular Formula | C13H12N6O4 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.092 |
| Heavy Atoms | 23 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 78582-22-6 |
|---|---|
| SMILES | C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN4C2=NC=N4)C#N |
| InChIKey | UPQHWHRNVWHBTG-UHFFFAOYSA-N |
Product Overview
7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile (CAS 78582-22-6), with molecular formula C13H12N6O4 and molecular weight 316.09 g/mol. IUPAC: 10-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carbonitrile.
Chemical Property Profile of 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile
Property Insights of 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile
The XLogP value of -1.4 indicates that 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile has 3 hydrogen bond donor(s) and 8 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 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile?
The CAS number of 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile is 78582-22-6.
What is the molecular formula of 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile?
The molecular formula of 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile is C13H12N6O4.
What is the molecular weight of 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile?
The molecular weight of 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile is 316.09 g/mol.
Where can I buy 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile?
You can request a quote for 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-Pentofuranosyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.