AB00684819-01
TL;DR: AB00684819-01 (CAS 852145-63-2) is a chemical compound with molecular formula C23H23N5O3S and molecular weight 449.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
Also Known As: AB00684819-01, F0653-0483, 2-((5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone, 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one, 2-[[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
| Molecular Formula | C23H23N5O3S |
|---|---|
| Molecular Weight | 449.15 g/mol |
| LogP | 3.3751 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.15216 |
| Heavy Atoms | 32 |
| Complexity | 1228.1544 |
Chemical Identifiers
| CAS Number | 852145-63-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CNC5=CC=CC=C54 |
Product Overview
AB00684819-01 (CAS 852145-63-2), with molecular formula C23H23N5O3S and molecular weight 449.15 g/mol. IUPAC: 2-[[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.
Chemical Property Profile of AB00684819-01
Property Insights of AB00684819-01
The XLogP value of 3.3751 indicates that AB00684819-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684819-01. Following Lipinski's Rule of Five, AB00684819-01 has 1 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 AB00684819-01?
The CAS number of AB00684819-01 is 852145-63-2.
What is the molecular formula of AB00684819-01?
The molecular formula of AB00684819-01 is C23H23N5O3S.
What is the molecular weight of AB00684819-01?
The molecular weight of AB00684819-01 is 449.15 g/mol.
Where can I buy AB00684819-01?
You can request a quote for AB00684819-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684819-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684819-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.