3-(Adenin-9-yl) prop-2-enal
TL;DR: 3-(Adenin-9-yl) prop-2-enal (CAS 79251-81-3) is a chemical compound with molecular formula C8H7N5O and molecular weight 189.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-aminopurin-9-yl)prop-2-enal
Also Known As: adeninepropenal, Adenine propenal, 9-(3-Oxoprop-1-enyl)adenine, 3-(Adenin-9-yl) prop-2-enal, 3-(6-Amino-9H-purin-9-yl)-2-propenal
| Molecular Formula | C8H7N5O |
|---|---|
| Molecular Weight | 189.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.06506 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 79251-81-3 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C=CC=O)N |
| InChIKey | LYXOMQKQLZJTQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Adenin-9-yl) prop-2-enal (CAS 79251-81-3), with molecular formula C8H7N5O and molecular weight 189.07 g/mol. IUPAC: 3-(6-aminopurin-9-yl)prop-2-enal.
Chemical Property Profile of 3-(Adenin-9-yl) prop-2-enal
Property Insights of 3-(Adenin-9-yl) prop-2-enal
The XLogP value of -0.3 indicates that 3-(Adenin-9-yl) prop-2-enal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Adenin-9-yl) prop-2-enal. Following Lipinski's Rule of Five, 3-(Adenin-9-yl) prop-2-enal has 1 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 3-(Adenin-9-yl) prop-2-enal?
The CAS number of 3-(Adenin-9-yl) prop-2-enal is 79251-81-3.
What is the molecular formula of 3-(Adenin-9-yl) prop-2-enal?
The molecular formula of 3-(Adenin-9-yl) prop-2-enal is C8H7N5O.
What is the molecular weight of 3-(Adenin-9-yl) prop-2-enal?
The molecular weight of 3-(Adenin-9-yl) prop-2-enal is 189.07 g/mol.
Where can I buy 3-(Adenin-9-yl) prop-2-enal?
You can request a quote for 3-(Adenin-9-yl) prop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Adenin-9-yl) prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-(Adenin-9-yl) prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.