![methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate structure](/static/products/371/371213-64-8.png)
methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate
TL;DR: methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate (CAS 371213-64-8) is a chemical compound with molecular formula C22H36N4O4S and molecular weight 452.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate
Also Known As: methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate, Methyl 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate, methyl 2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate, ME 2-((7-DODECYL-3-ME-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)THIO)PROPANOATE, methyl 2-((7-dodecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate
| Molecular Formula | C22H36N4O4S |
|---|---|
| Molecular Weight | 452.25 g/mol |
| LogP | 3.9978 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 452.24573 |
| Heavy Atoms | 31 |
| Complexity | 962.7972 |
Chemical Identifiers
| CAS Number | 371213-64-8 |
|---|---|
| SMILES | CCCCCCCCCCCCN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)NC2=O)C |
Product Overview
methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate (CAS 371213-64-8), with molecular formula C22H36N4O4S and molecular weight 452.25 g/mol. IUPAC: methyl 2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate.
Chemical Property Profile of methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate
Property Insights of methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate
The XLogP value of 3.9978 indicates that methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate. Following Lipinski's Rule of Five, methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate 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-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate?
The CAS number of methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate is 371213-64-8.
What is the molecular formula of methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate?
The molecular formula of methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate is C22H36N4O4S.
What is the molecular weight of methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate?
The molecular weight of methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate is 452.25 g/mol.
Where can I buy methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate?
You can request a quote for methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.