Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate
TL;DR: Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate (CAS 123044-94-0) is a chemical compound with molecular formula C10H11N5O2 and molecular weight 233.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(6-aminopurin-9-yl)methyl]prop-2-enoate
Also Known As: methyl 2-(adenin-9-ylmethyl)-2-propenoate, J2.763.877E, Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate, methyl 2-[(6-aminopurin-9-yl)methyl]prop-2-enoate, methyl 2-[(6-amino-9h-purin-9-yl)methyl]prop-2-enoate
| Molecular Formula | C10H11N5O2 |
|---|---|
| Molecular Weight | 233.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.09128 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 123044-94-0 |
|---|---|
| SMILES | COC(=O)C(=C)CN1C=NC2=C(N=CN=C21)N |
| InChIKey | BRYMXPQQRBALTN-UHFFFAOYSA-N |
Product Overview
Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate (CAS 123044-94-0), with molecular formula C10H11N5O2 and molecular weight 233.09 g/mol. IUPAC: methyl 2-[(6-aminopurin-9-yl)methyl]prop-2-enoate.
Chemical Property Profile of Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate
Property Insights of Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate. Following Lipinski's Rule of Five, Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate has 1 hydrogen bond donor(s) and 6 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 Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate?
The CAS number of Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate is 123044-94-0.
What is the molecular formula of Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate?
The molecular formula of Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate is C10H11N5O2.
What is the molecular weight of Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate?
The molecular weight of Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate is 233.09 g/mol.
Where can I buy Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate?
You can request a quote for Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((6-amino-9H-purin-9-yl)methyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.