ChemDiv1_004784
TL;DR: ChemDiv1_004784 (CAS 325693-22-9) is a chemical compound with molecular formula C21H22N4O2S2 and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
Also Known As: ChemDiv1_004784, BAS 02072461, BIM-0030618.P001, AB00685138-01, AF-399/14425101
| Molecular Formula | C21H22N4O2S2 |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 3.3263 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.1184 |
| Heavy Atoms | 29 |
| Complexity | 1105.3069 |
Chemical Identifiers
| CAS Number | 325693-22-9 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CN=CC=C3)SC4=C2CCCC4 |
Product Overview
ChemDiv1_004784 (CAS 325693-22-9), with molecular formula C21H22N4O2S2 and molecular weight 426.12 g/mol. IUPAC: 2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)acetamide.
Chemical Property Profile of ChemDiv1_004784
Property Insights of ChemDiv1_004784
The XLogP value of 3.3263 indicates that ChemDiv1_004784 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004784. Following Lipinski's Rule of Five, ChemDiv1_004784 has 1 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_004784?
The CAS number of ChemDiv1_004784 is 325693-22-9.
What is the molecular formula of ChemDiv1_004784?
The molecular formula of ChemDiv1_004784 is C21H22N4O2S2.
What is the molecular weight of ChemDiv1_004784?
The molecular weight of ChemDiv1_004784 is 426.12 g/mol.
Where can I buy ChemDiv1_004784?
You can request a quote for ChemDiv1_004784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004784?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.