ChemDiv1_009844
TL;DR: ChemDiv1_009844 (CAS 380474-65-7) is a chemical compound with molecular formula C17H16N2O2S3 and molecular weight 376.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv1_009844, BAS 03373700, 6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 3-allyl-6-ethyl-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)thieno[2,3-d]pyrimidin-4(3H)-one, 3-allyl-6-ethyl-2-[[2-keto-2-(2-thienyl)ethyl]thio]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C17H16N2O2S3 |
|---|---|
| Molecular Weight | 376.04 g/mol |
| LogP | 4.2429 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.03738 |
| Heavy Atoms | 24 |
| Complexity | 938.8007 |
Chemical Identifiers
| CAS Number | 380474-65-7 |
|---|---|
| SMILES | CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)C3=CC=CS3 |
Product Overview
ChemDiv1_009844 (CAS 380474-65-7), with molecular formula C17H16N2O2S3 and molecular weight 376.04 g/mol. IUPAC: 6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_009844
Property Insights of ChemDiv1_009844
The XLogP value of 4.2429 indicates that ChemDiv1_009844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, ChemDiv1_009844 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_009844 has 0 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 ChemDiv1_009844?
The CAS number of ChemDiv1_009844 is 380474-65-7.
What is the molecular formula of ChemDiv1_009844?
The molecular formula of ChemDiv1_009844 is C17H16N2O2S3.
What is the molecular weight of ChemDiv1_009844?
The molecular weight of ChemDiv1_009844 is 376.04 g/mol.
Where can I buy ChemDiv1_009844?
You can request a quote for ChemDiv1_009844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009844?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.