![{[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid structure](/static/products/913/91338-31-7.png)
{[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid
TL;DR: {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid (CAS 91338-31-7) is a chemical compound with molecular formula C11H15N3O4S and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-1-ethyl-2,6-dioxo-3-prop-2-enylpyrimidin-5-yl)sulfanylacetic acid
Also Known As: {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid, 2-(4-amino-1-ethyl-2,6-dioxo-3-prop-2-enylpyrimidin-5-yl)sul, 2-((1-Allyl-6-amino-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)thio)acetic acid, 2-((1-Allyl-6-amino-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)thio)aceticacid, 2-(4-amino-1-ethyl-2,6-dioxo-3-prop-2-enylpyrimidin-5-yl)sulfanylacetic acid
| Molecular Formula | C11H15N3O4S |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.07834 |
| Heavy Atoms | 19 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 91338-31-7 |
|---|---|
| SMILES | CCN1C(=O)C(=C(N(C1=O)CC=C)N)SCC(=O)O |
| InChIKey | BUSRRYPSOWYCBP-UHFFFAOYSA-N |
Product Overview
{[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid (CAS 91338-31-7), with molecular formula C11H15N3O4S and molecular weight 285.08 g/mol. IUPAC: 2-(4-amino-1-ethyl-2,6-dioxo-3-prop-2-enylpyrimidin-5-yl)sulfanylacetic acid.
Chemical Property Profile of {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid
Property Insights of {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid has 2 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 {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid?
The CAS number of {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid is 91338-31-7.
What is the molecular formula of {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid?
The molecular formula of {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid is C11H15N3O4S.
What is the molecular weight of {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid?
The molecular weight of {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid is 285.08 g/mol.
Where can I buy {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid?
You can request a quote for {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.