ChemDiv2_006780
TL;DR: ChemDiv2_006780 (CAS 852144-83-3) is a chemical compound with molecular formula C22H21N5O4S and molecular weight 451.13 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-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: ChemDiv2_006780, IDI1_005495, F0653-0300, N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide
| Molecular Formula | C22H21N5O4S |
|---|---|
| Molecular Weight | 451.13 g/mol |
| LogP | 3.5323 |
| Topological Polar Surface Area | 103.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.13144 |
| Heavy Atoms | 32 |
| Complexity | 1268.4352 |
Chemical Identifiers
| CAS Number | 852144-83-3 |
|---|---|
| SMILES | COCCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CNC5=CC=CC=C54 |
Product Overview
ChemDiv2_006780 (CAS 852144-83-3), with molecular formula C22H21N5O4S and molecular weight 451.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv2_006780
Property Insights of ChemDiv2_006780
The XLogP value of 3.5323 indicates that ChemDiv2_006780 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006780. Following Lipinski's Rule of Five, ChemDiv2_006780 has 2 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 ChemDiv2_006780?
The CAS number of ChemDiv2_006780 is 852144-83-3.
What is the molecular formula of ChemDiv2_006780?
The molecular formula of ChemDiv2_006780 is C22H21N5O4S.
What is the molecular weight of ChemDiv2_006780?
The molecular weight of ChemDiv2_006780 is 451.13 g/mol.
Where can I buy ChemDiv2_006780?
You can request a quote for ChemDiv2_006780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006780?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.