(E)-5-(2-cyanoethenyl)tubercidin
TL;DR: (E)-5-(2-cyanoethenyl)tubercidin (CAS 76319-82-9) is a chemical compound with molecular formula C14H15N5O4 and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enenitrile
Also Known As: (E)-5-(2-cyanoethenyl)tubercidin, 3-(4-Amino-7-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidin-5-yl)-acrylonitrile, 2-Propenenitrile,3-(4-amino-7-, A-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-,(E)-, (E)-3-[4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enenitrile
| Molecular Formula | C14H15N5O4 |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | -0.83822 |
| Topological Polar Surface Area | 150.44 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.1124 |
| Heavy Atoms | 23 |
| Complexity | 796.29694 |
Chemical Identifiers
| CAS Number | 76319-82-9 |
|---|---|
| SMILES | C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)/C=C/C#N |
Product Overview
(E)-5-(2-cyanoethenyl)tubercidin (CAS 76319-82-9), with molecular formula C14H15N5O4 and molecular weight 317.11 g/mol. IUPAC: (E)-3-[4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-5-(2-cyanoethenyl)tubercidin
Property Insights of (E)-5-(2-cyanoethenyl)tubercidin
The XLogP value of -0.83822 indicates that (E)-5-(2-cyanoethenyl)tubercidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.44 Ų indicates high polarity, suggesting (E)-5-(2-cyanoethenyl)tubercidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-5-(2-cyanoethenyl)tubercidin 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 (E)-5-(2-cyanoethenyl)tubercidin?
The CAS number of (E)-5-(2-cyanoethenyl)tubercidin is 76319-82-9.
What is the molecular formula of (E)-5-(2-cyanoethenyl)tubercidin?
The molecular formula of (E)-5-(2-cyanoethenyl)tubercidin is C14H15N5O4.
What is the molecular weight of (E)-5-(2-cyanoethenyl)tubercidin?
The molecular weight of (E)-5-(2-cyanoethenyl)tubercidin is 317.11 g/mol.
Where can I buy (E)-5-(2-cyanoethenyl)tubercidin?
You can request a quote for (E)-5-(2-cyanoethenyl)tubercidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(2-cyanoethenyl)tubercidin?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(2-cyanoethenyl)tubercidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.