ChemDiv2_003679
TL;DR: ChemDiv2_003679 (CAS 317844-78-3) is a chemical compound with molecular formula C14H16N2OS2 and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv2_003679, BAS 01835905, IDI1_002394, 2-methylthio-3-prop-2-enyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimid in-4-one, 2-methylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C14H16N2OS2 |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 3.2447 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0704 |
| Heavy Atoms | 19 |
| Complexity | 699.51434 |
Chemical Identifiers
| CAS Number | 317844-78-3 |
|---|---|
| SMILES | CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC=C |
Product Overview
ChemDiv2_003679 (CAS 317844-78-3), with molecular formula C14H16N2OS2 and molecular weight 292.07 g/mol. IUPAC: 2-methylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv2_003679
Property Insights of ChemDiv2_003679
The XLogP value of 3.2447 indicates that ChemDiv2_003679 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, ChemDiv2_003679 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_003679 has 0 hydrogen bond donor(s) and 4 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 ChemDiv2_003679?
The CAS number of ChemDiv2_003679 is 317844-78-3.
What is the molecular formula of ChemDiv2_003679?
The molecular formula of ChemDiv2_003679 is C14H16N2OS2.
What is the molecular weight of ChemDiv2_003679?
The molecular weight of ChemDiv2_003679 is 292.07 g/mol.
Where can I buy ChemDiv2_003679?
You can request a quote for ChemDiv2_003679 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003679?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003679 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.