ChemDiv3_003689
TL;DR: ChemDiv3_003689 (CAS 433232-48-5) is a chemical compound with molecular formula C17H20N4OS and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Also Known As: ChemDiv3_003689, IDI1_021599, 2-[(4-allyl-5-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide, AJ-292/41599802, BRD-K85084113-001-01-9
| Molecular Formula | C17H20N4OS |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.13577 |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 433232-48-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CC3 |
| InChIKey | JSHSSQRAJANSPQ-UHFFFAOYSA-N |
Product Overview
ChemDiv3_003689 (CAS 433232-48-5), with molecular formula C17H20N4OS and molecular weight 328.14 g/mol. IUPAC: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of ChemDiv3_003689
Property Insights of ChemDiv3_003689
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_003689. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003689. Following Lipinski's Rule of Five, ChemDiv3_003689 has 1 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 ChemDiv3_003689?
The CAS number of ChemDiv3_003689 is 433232-48-5.
What is the molecular formula of ChemDiv3_003689?
The molecular formula of ChemDiv3_003689 is C17H20N4OS.
What is the molecular weight of ChemDiv3_003689?
The molecular weight of ChemDiv3_003689 is 328.14 g/mol.
Where can I buy ChemDiv3_003689?
You can request a quote for ChemDiv3_003689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003689?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.