![2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide structure](/static/products/3280/328071-98-3.webp)
2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
TL;DR: 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide (CAS 328071-98-3) is a chemical compound with molecular formula C19H23N5O5S and molecular weight 433.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide
Also Known As: 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide, 2-[7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide, 2-((7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide, 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}thio)acetamide
| Molecular Formula | C19H23N5O5S |
|---|---|
| Molecular Weight | 433.14 g/mol |
| LogP | 0.003 |
| Topological Polar Surface Area | 145.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.142 |
| Heavy Atoms | 30 |
| Complexity | 1165.0023 |
Chemical Identifiers
| CAS Number | 328071-98-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SCC(=O)N)N(C(=O)NC3=O)C)O |
Product Overview
2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide (CAS 328071-98-3), with molecular formula C19H23N5O5S and molecular weight 433.14 g/mol. IUPAC: 2-[7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide.
Chemical Property Profile of 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Property Insights of 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
The XLogP value of 0.003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide. The TPSA of 145.23 Ų indicates high polarity, suggesting 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide has 3 hydrogen bond donor(s) and 7 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 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide?
The CAS number of 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide is 328071-98-3.
What is the molecular formula of 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide?
The molecular formula of 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide is C19H23N5O5S.
What is the molecular weight of 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide?
The molecular weight of 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide is 433.14 g/mol.
Where can I buy 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide?
You can request a quote for 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.