RefChem:823338
TL;DR: RefChem:823338 (CAS 618414-29-2) is a chemical compound with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(1,3-BENZODIOXOL-5-YL)-2-{[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, N-(Benzo[d][1,3]dioxol-5-yl)-2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 649-093-5, N-(1,3-Benzodioxol-5-YL)-2-((4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide, N-(1,3-benzodioxol-5-yl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C18H17N5O3S |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 2.8195 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.10522 |
| Heavy Atoms | 27 |
| Complexity | 960.88586 |
Chemical Identifiers
| CAS Number | 618414-29-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=N4 |
Product Overview
RefChem:823338 (CAS 618414-29-2), with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:823338
Property Insights of RefChem:823338
The XLogP value of 2.8195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:823338. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:823338. Following Lipinski's Rule of Five, RefChem:823338 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:823338?
The CAS number of RefChem:823338 is 618414-29-2.
What is the molecular formula of RefChem:823338?
The molecular formula of RefChem:823338 is C18H17N5O3S.
What is the molecular weight of RefChem:823338?
The molecular weight of RefChem:823338 is 383.11 g/mol.
Where can I buy RefChem:823338?
You can request a quote for RefChem:823338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:823338?
Yes, KEHONG BIO provides custom synthesis services for RefChem:823338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.