RefChem:448736
TL;DR: RefChem:448736 (CAS 585559-92-8) is a chemical compound with molecular formula C18H15F2N5OS and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-difluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: Salor-int l414972-1ea, N-(3,4-difluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-difluorophenyl)acetamide, 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(3,4-DIFLUOROPHENYL)ACETAMIDE, 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3,4-difluorophenyl)acetamide
| Molecular Formula | C18H15F2N5OS |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 3.5351 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.09653 |
| Heavy Atoms | 27 |
| Complexity | 961.64075 |
Chemical Identifiers
| CAS Number | 585559-92-8 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=CC=N3 |
Product Overview
RefChem:448736 (CAS 585559-92-8), with molecular formula C18H15F2N5OS and molecular weight 387.10 g/mol. IUPAC: N-(3,4-difluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:448736
Property Insights of RefChem:448736
The XLogP value of 3.5351 indicates that RefChem:448736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448736. Following Lipinski's Rule of Five, RefChem:448736 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 RefChem:448736?
The CAS number of RefChem:448736 is 585559-92-8.
What is the molecular formula of RefChem:448736?
The molecular formula of RefChem:448736 is C18H15F2N5OS.
What is the molecular weight of RefChem:448736?
The molecular weight of RefChem:448736 is 387.10 g/mol.
Where can I buy RefChem:448736?
You can request a quote for RefChem:448736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448736?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.