![N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide structure](/static/products/6909/690960-70-4.webp)
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
TL;DR: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide (CAS 690960-70-4) is a chemical compound with molecular formula C22H16ClN3O3S2 and molecular weight 469.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
Also Known As: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]thio}acetamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)acetamide, N-[(2H-1,3-benzodioxol-5-yl)methyl][3-(p-chlorophenyl)-1-thia-5,7-diaza-4-indenylthio]acetamide
| Molecular Formula | C22H16ClN3O3S2 |
|---|---|
| Molecular Weight | 469.03 g/mol |
| LogP | 5.1489 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.03217 |
| Heavy Atoms | 31 |
| Complexity | 1260.8386 |
Chemical Identifiers
| CAS Number | 690960-70-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=C(C=C5)Cl |
Product Overview
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide (CAS 690960-70-4), with molecular formula C22H16ClN3O3S2 and molecular weight 469.03 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide.
Chemical Property Profile of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Property Insights of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
The XLogP value of 5.1489 indicates that N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide?
The CAS number of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide is 690960-70-4.
What is the molecular formula of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide?
The molecular formula of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide is C22H16ClN3O3S2.
What is the molecular weight of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide?
The molecular weight of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide is 469.03 g/mol.
Where can I buy N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide?
You can request a quote for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-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-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.