C17H16ClN3O2S2
TL;DR: C17H16ClN3O2S2 (CAS 552819-76-8) is a chemical compound with molecular formula C17H16ClN3O2S2 and molecular weight 393.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Also Known As: BAS 02562251, N-(3-chlorophenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide, N-(3-chlorophenyl)-2-((3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(3-chlorophenyl)-2-({3,5,6-trimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamide, N-(3-chlorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2 -ylthio))acetamide
| Molecular Formula | C17H16ClN3O2S2 |
|---|---|
| Molecular Weight | 393.04 g/mol |
| LogP | 3.99604 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.03726 |
| Heavy Atoms | 25 |
| Complexity | 1026.6403 |
Chemical Identifiers
| CAS Number | 552819-76-8 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)Cl)C)C |
Product Overview
C17H16ClN3O2S2 (CAS 552819-76-8), with molecular formula C17H16ClN3O2S2 and molecular weight 393.04 g/mol. IUPAC: N-(3-chlorophenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of C17H16ClN3O2S2
Property Insights of C17H16ClN3O2S2
The XLogP value of 3.99604 indicates that C17H16ClN3O2S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H16ClN3O2S2. Following Lipinski's Rule of Five, C17H16ClN3O2S2 has 1 hydrogen bond donor(s) and 5 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 C17H16ClN3O2S2?
The CAS number of C17H16ClN3O2S2 is 552819-76-8.
What is the molecular formula of C17H16ClN3O2S2?
The molecular formula of C17H16ClN3O2S2 is C17H16ClN3O2S2.
What is the molecular weight of C17H16ClN3O2S2?
The molecular weight of C17H16ClN3O2S2 is 393.04 g/mol.
Where can I buy C17H16ClN3O2S2?
You can request a quote for C17H16ClN3O2S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H16ClN3O2S2?
Yes, KEHONG BIO provides custom synthesis services for C17H16ClN3O2S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.