ChemDiv1_004744
TL;DR: ChemDiv1_004744 (CAS 325693-40-1) is a chemical compound with molecular formula C20H25N3O2S2 and molecular weight 403.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv1_004744, BAS 02072487, BIM-0030527.P001, 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C20H25N3O2S2 |
|---|---|
| Molecular Weight | 403.14 g/mol |
| LogP | 3.6274 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.13882 |
| Heavy Atoms | 27 |
| Complexity | 925.43024 |
Chemical Identifiers
| CAS Number | 325693-40-1 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCCCC3)SC4=C2CCCC4 |
Product Overview
ChemDiv1_004744 (CAS 325693-40-1), with molecular formula C20H25N3O2S2 and molecular weight 403.14 g/mol. IUPAC: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_004744
Property Insights of ChemDiv1_004744
The XLogP value of 3.6274 indicates that ChemDiv1_004744 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, ChemDiv1_004744 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_004744 has 0 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 ChemDiv1_004744?
The CAS number of ChemDiv1_004744 is 325693-40-1.
What is the molecular formula of ChemDiv1_004744?
The molecular formula of ChemDiv1_004744 is C20H25N3O2S2.
What is the molecular weight of ChemDiv1_004744?
The molecular weight of ChemDiv1_004744 is 403.14 g/mol.
Where can I buy ChemDiv1_004744?
You can request a quote for ChemDiv1_004744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004744?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.