RefChem:823852
TL;DR: RefChem:823852 (CAS 578733-12-7) is a chemical compound with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 649-094-0, N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-2-((4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
| Molecular Formula | C19H19N5O3S |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.12085 |
| Heavy Atoms | 28 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 578733-12-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=N4 |
| InChIKey | YIYRKNVSQSDBFM-UHFFFAOYSA-N |
Product Overview
RefChem:823852 (CAS 578733-12-7), with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:823852
Property Insights of RefChem:823852
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:823852. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:823852. Following Lipinski's Rule of Five, RefChem:823852 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:823852?
The CAS number of RefChem:823852 is 578733-12-7.
What is the molecular formula of RefChem:823852?
The molecular formula of RefChem:823852 is C19H19N5O3S.
What is the molecular weight of RefChem:823852?
The molecular weight of RefChem:823852 is 397.12 g/mol.
Where can I buy RefChem:823852?
You can request a quote for RefChem:823852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:823852?
Yes, KEHONG BIO provides custom synthesis services for RefChem:823852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.