ChemDiv3_002799
TL;DR: ChemDiv3_002799 (CAS 379247-87-7) is a chemical compound with molecular formula C23H25N3O2S2 and molecular weight 439.14 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-(2-phenylethyl)acetamide
Also Known As: ChemDiv3_002799, UPCMLD0ENAT5889616:001, F0915-6089, AF-399/15032210, BRD-K87297855-001-01-7
| Molecular Formula | C23H25N3O2S2 |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 3.9738 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.13882 |
| Heavy Atoms | 30 |
| Complexity | 1118.919 |
Chemical Identifiers
| CAS Number | 379247-87-7 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NCCC3=CC=CC=C3)SC4=C2CCCC4 |
Product Overview
ChemDiv3_002799 (CAS 379247-87-7), with molecular formula C23H25N3O2S2 and molecular weight 439.14 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-(2-phenylethyl)acetamide.
Chemical Property Profile of ChemDiv3_002799
Property Insights of ChemDiv3_002799
The XLogP value of 3.9738 indicates that ChemDiv3_002799 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 ChemDiv3_002799. Following Lipinski's Rule of Five, ChemDiv3_002799 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 ChemDiv3_002799?
The CAS number of ChemDiv3_002799 is 379247-87-7.
What is the molecular formula of ChemDiv3_002799?
The molecular formula of ChemDiv3_002799 is C23H25N3O2S2.
What is the molecular weight of ChemDiv3_002799?
The molecular weight of ChemDiv3_002799 is 439.14 g/mol.
Where can I buy ChemDiv3_002799?
You can request a quote for ChemDiv3_002799 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002799?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002799 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.