AB00421955-09
TL;DR: AB00421955-09 (CAS 391888-63-4) is a chemical compound with molecular formula C21H23N5O5S2 and molecular weight 489.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
Also Known As: AB00421955-09, F0475-0445, N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide, N-{[4-(2-methoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(morpholin-4-ylsulfonyl)benzamide, N-((4-(2-methoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide
| Molecular Formula | C21H23N5O5S2 |
|---|---|
| Molecular Weight | 489.11 g/mol |
| LogP | 1.88939 |
| Topological Polar Surface Area | 118.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.11407 |
| Heavy Atoms | 33 |
| Complexity | 1295.0796 |
Chemical Identifiers
| CAS Number | 391888-63-4 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 |
Product Overview
AB00421955-09 (CAS 391888-63-4), with molecular formula C21H23N5O5S2 and molecular weight 489.11 g/mol. IUPAC: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide.
Chemical Property Profile of AB00421955-09
Property Insights of AB00421955-09
The XLogP value of 1.88939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00421955-09. The TPSA of 118.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00421955-09. Following Lipinski's Rule of Five, AB00421955-09 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 AB00421955-09?
The CAS number of AB00421955-09 is 391888-63-4.
What is the molecular formula of AB00421955-09?
The molecular formula of AB00421955-09 is C21H23N5O5S2.
What is the molecular weight of AB00421955-09?
The molecular weight of AB00421955-09 is 489.11 g/mol.
Where can I buy AB00421955-09?
You can request a quote for AB00421955-09 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00421955-09?
Yes, KEHONG BIO provides custom synthesis services for AB00421955-09 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.