RefChem:448782
TL;DR: RefChem:448782 (CAS 586989-80-2) is a chemical compound with molecular formula C19H20N4O3S2 and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: SALOR-INT L413798-1EA, 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethoxyphenyl)acetamide, 2-{[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(3,5-DIMETHOXYPHENYL)ACETAMIDE, N-(3,5-dimethoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(3,5-DIMETHOXYPHENYL)ACETAMIDE
| Molecular Formula | C19H20N4O3S2 |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 3.9406 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.0977 |
| Heavy Atoms | 28 |
| Complexity | 932.0019 |
Chemical Identifiers
| CAS Number | 586989-80-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3)OC |
Product Overview
RefChem:448782 (CAS 586989-80-2), with molecular formula C19H20N4O3S2 and molecular weight 416.10 g/mol. IUPAC: N-(3,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:448782
Property Insights of RefChem:448782
The XLogP value of 3.9406 indicates that RefChem:448782 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448782. Following Lipinski's Rule of Five, RefChem:448782 has 1 hydrogen bond donor(s) and 7 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:448782?
The CAS number of RefChem:448782 is 586989-80-2.
What is the molecular formula of RefChem:448782?
The molecular formula of RefChem:448782 is C19H20N4O3S2.
What is the molecular weight of RefChem:448782?
The molecular weight of RefChem:448782 is 416.10 g/mol.
Where can I buy RefChem:448782?
You can request a quote for RefChem:448782 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448782?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.