C22H21N9O3S
TL;DR: C22H21N9O3S (CAS 862106-22-7) is a chemical compound with molecular formula C22H21N9O3S and molecular weight 491.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-acetamidophenyl)methylideneamino]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide, N-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenyl}acetamide
| Molecular Formula | C22H21N9O3S |
|---|---|
| Molecular Weight | 491.15 g/mol |
| LogP | 2.55552 |
| Topological Polar Surface Area | 166.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.1488 |
| Heavy Atoms | 35 |
| Complexity | 1361.8367 |
Chemical Identifiers
| CAS Number | 862106-22-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=C(C=C4)NC(=O)C |
Product Overview
C22H21N9O3S (CAS 862106-22-7), with molecular formula C22H21N9O3S and molecular weight 491.15 g/mol. IUPAC: N-[(E)-(4-acetamidophenyl)methylideneamino]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of C22H21N9O3S
Property Insights of C22H21N9O3S
The XLogP value of 2.55552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H21N9O3S. The TPSA of 166.21 Ų indicates high polarity, suggesting C22H21N9O3S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H21N9O3S has 3 hydrogen bond donor(s) and 10 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 C22H21N9O3S?
The CAS number of C22H21N9O3S is 862106-22-7.
What is the molecular formula of C22H21N9O3S?
The molecular formula of C22H21N9O3S is C22H21N9O3S.
What is the molecular weight of C22H21N9O3S?
The molecular weight of C22H21N9O3S is 491.15 g/mol.
Where can I buy C22H21N9O3S?
You can request a quote for C22H21N9O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H21N9O3S?
Yes, KEHONG BIO provides custom synthesis services for C22H21N9O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.