![N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide structure](/static/products/5869/586990-40-1.webp)
N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide (CAS 586990-40-1) is a chemical compound with molecular formula C18H17N3O4S2 and molecular weight 403.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Also Known As: N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(1,3-benzodioxol-5-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide, N-(2H-1,3-benzodioxol-5-yl)-2-({3,5,6-trimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno [2,3-d]pyrimidin-2-ylthio))acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamide
| Molecular Formula | C18H17N3O4S2 |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 3.07134 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.06604 |
| Heavy Atoms | 27 |
| Complexity | 1119.9728 |
Chemical Identifiers
| CAS Number | 586990-40-1 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C)C |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide (CAS 586990-40-1), with molecular formula C18H17N3O4S2 and molecular weight 403.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
The XLogP value of 3.07134 indicates that N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide has 1 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 N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is 586990-40-1.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is C18H17N3O4S2.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is 403.07 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-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 N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.