4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile
TL;DR: 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile (CAS 90813-71-1) is a chemical compound with molecular formula C12H13N5O4 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Also Known As: Ara-Toyocamycin, Vengicide, 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 7H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-beta-D-arabinofuranosyl-, 4-Amino-7-(beta-D-arabinofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
| Molecular Formula | C12H13N5O4 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.09674 |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 90813-71-1 |
|---|---|
| SMILES | C1=C(C2=C(N=CN=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N)C#N |
| InChIKey | XOKJUSAYZUAMGJ-QRKAXHLRSA-N |
Product Overview
4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile (CAS 90813-71-1), with molecular formula C12H13N5O4 and molecular weight 291.10 g/mol. IUPAC: 4-amino-7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile
Property Insights of 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile
The XLogP value of -1.6 indicates that 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile has 4 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 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile?
The CAS number of 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile is 90813-71-1.
What is the molecular formula of 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile?
The molecular formula of 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile is C12H13N5O4.
What is the molecular weight of 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile?
The molecular weight of 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile is 291.10 g/mol.
Where can I buy 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile?
You can request a quote for 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.