AB00431462-04
TL;DR: AB00431462-04 (CAS 852145-00-7) is a chemical compound with molecular formula C23H23N5O4S and molecular weight 465.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB00431462-04, F0653-0318, 2-((5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-ylmethyl)acetamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[[(5E)-5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C23H23N5O4S |
|---|---|
| Molecular Weight | 465.15 g/mol |
| LogP | 3.21 |
| Topological Polar Surface Area | 103.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.14706 |
| Heavy Atoms | 33 |
| Complexity | 1285.0916 |
Chemical Identifiers
| CAS Number | 852145-00-7 |
|---|---|
| SMILES | COCCN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CNC5=CC=CC=C54 |
Product Overview
AB00431462-04 (CAS 852145-00-7), with molecular formula C23H23N5O4S and molecular weight 465.15 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00431462-04
Property Insights of AB00431462-04
The XLogP value of 3.21 indicates that AB00431462-04 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 AB00431462-04. Following Lipinski's Rule of Five, AB00431462-04 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 AB00431462-04?
The CAS number of AB00431462-04 is 852145-00-7.
What is the molecular formula of AB00431462-04?
The molecular formula of AB00431462-04 is C23H23N5O4S.
What is the molecular weight of AB00431462-04?
The molecular weight of AB00431462-04 is 465.15 g/mol.
Where can I buy AB00431462-04?
You can request a quote for AB00431462-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00431462-04?
Yes, KEHONG BIO provides custom synthesis services for AB00431462-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.