![2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide structure](/static/products/5383/538337-31-4.webp)
2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
TL;DR: 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide (CAS 538337-31-4) is a chemical compound with molecular formula C22H24ClN5O2S and molecular weight 457.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3-chloro-2-methylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
Also Known As: 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide, 2-((4-Allyl-5-(((3-chloro-2-methylphenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide, 2-((4-ALLYL-5-((3-CHLORO-2-METHYLANILINO)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(3-METHOXYPHENYL)ACETAMIDE, 2-(5-{[(3-chloro-2-methylphenyl)amino]methyl}-4-prop-2-enyl(1,2,4-triazol-3-yl thio))-N-(3-methoxyphenyl)acetamide, 2-[[5-[(3-chloro-2-methylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
| Molecular Formula | C22H24ClN5O2S |
|---|---|
| Molecular Weight | 457.13 g/mol |
| LogP | 4.77742 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 457.1339 |
| Heavy Atoms | 31 |
| Complexity | 1069.8048 |
Chemical Identifiers
| CAS Number | 538337-31-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)OC |
Product Overview
2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide (CAS 538337-31-4), with molecular formula C22H24ClN5O2S and molecular weight 457.13 g/mol. IUPAC: 2-[[5-[(3-chloro-2-methylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide.
Chemical Property Profile of 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
Property Insights of 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
The XLogP value of 4.77742 indicates that 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide has 2 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 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide?
The CAS number of 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide is 538337-31-4.
What is the molecular formula of 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide?
The molecular formula of 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide is C22H24ClN5O2S.
What is the molecular weight of 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide?
The molecular weight of 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide is 457.13 g/mol.
Where can I buy 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide?
You can request a quote for 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.