AB00490996-08
TL;DR: AB00490996-08 (CAS 852145-02-9) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB00490996-08, F0653-0320, 2-((5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide, N-[(furan-2-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-furfuryl[5-(3-indolyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-ylthio]acetamide
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 3.0743 |
| Topological Polar Surface Area | 97.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 1086.8892 |
Chemical Identifiers
| CAS Number | 852145-02-9 |
|---|---|
| SMILES | COCCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CNC4=CC=CC=C43 |
Product Overview
AB00490996-08 (CAS 852145-02-9), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00490996-08
Property Insights of AB00490996-08
The XLogP value of 3.0743 indicates that AB00490996-08 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.97 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00490996-08. Following Lipinski's Rule of Five, AB00490996-08 has 2 hydrogen bond donor(s) and 6 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 AB00490996-08?
The CAS number of AB00490996-08 is 852145-02-9.
What is the molecular formula of AB00490996-08?
The molecular formula of AB00490996-08 is C20H21N5O3S.
What is the molecular weight of AB00490996-08?
The molecular weight of AB00490996-08 is 411.14 g/mol.
Where can I buy AB00490996-08?
You can request a quote for AB00490996-08 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00490996-08?
Yes, KEHONG BIO provides custom synthesis services for AB00490996-08 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.