Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate
TL;DR: Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate (CAS 384368-14-3) is a chemical compound with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate
Also Known As: BAS 03819158, UPCMLD0ENAT5730952:001, AB01309113-01, methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate, methyl 2-[(7-allyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio]propanoate
| Molecular Formula | C13H16N4O4S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 0.2629 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.08923 |
| Heavy Atoms | 22 |
| Complexity | 848.06775 |
Chemical Identifiers
| CAS Number | 384368-14-3 |
|---|---|
| SMILES | CC(C(=O)OC)SC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C |
Product Overview
Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate (CAS 384368-14-3), with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol. IUPAC: methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate.
Chemical Property Profile of Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate
Property Insights of Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate
The XLogP value of 0.2629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate. Following Lipinski's Rule of Five, Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate 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-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate?
The CAS number of Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate is 384368-14-3.
What is the molecular formula of Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate?
The molecular formula of Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate is C13H16N4O4S.
What is the molecular weight of Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate?
The molecular weight of Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate is 324.09 g/mol.
Where can I buy Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate?
You can request a quote for Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.