![[4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate structure](/static/products/488/488733-05-7.png)
[4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
TL;DR: [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate (CAS 488733-05-7) is a chemical compound with molecular formula C28H27N5O3S and molecular weight 513.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
Also Known As: [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate|4-{(1E)-1-[2-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate|[4-[(E)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate|4-((1E)-2-{2-[4,5-bis(4-methylphenyl)(1,2,4-triazol-3-ylthio)]acetylamino}-1-m ethyl-2-azavinyl)phenyl acetate|4-[(1E)-N-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)ethanehydrazonoyl]phenyl acetate
| Molecular Formula | C28H27N5O3S |
|---|---|
| Molecular Weight | 513.18 g/mol |
| LogP | 5.10894 |
| Topological Polar Surface Area | 98.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.1835 |
| Heavy Atoms | 37 |
| Complexity | 1426.4364 |
Chemical Identifiers
| CAS Number | 488733-05-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)N/N=C(\C)/C4=CC=C(C=C4)OC(=O)C |
Product Overview
[4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate (CAS 488733-05-7), with molecular formula C28H27N5O3S and molecular weight 513.18 g/mol. IUPAC: [4-[(E)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate.
Chemical Property Profile of [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
Property Insights of [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
The XLogP value of 5.10894 indicates that [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.47 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate. Following Lipinski's Rule of Five, [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate?
The CAS number of [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate is 488733-05-7.
What is the molecular formula of [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate?
The molecular formula of [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate is C28H27N5O3S.
What is the molecular weight of [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate?
The molecular weight of [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate is 513.18 g/mol.
Where can I buy [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate?
You can request a quote for [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(Z)-N-[[2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.