![4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide structure](/static/products/6945/694506-13-3.webp)
4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide
TL;DR: 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide (CAS 694506-13-3) is a chemical compound with molecular formula C31H26ClN5O2S and molecular weight 567.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-[2-(benzhydrylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-chlorobenzamide
Also Known As: 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide, N-[4-[5-[2-(benzhydrylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-chlorobenzamide, 4-CHLORO-N-[4-(5-{[(DIPHENYLMETHYLCARBAMOYL)METHYL]SULFANYL}-4-METHYL-1,2,4-TRIAZOL-3-YL)PHENYL]BENZAMIDE
| Molecular Formula | C31H26ClN5O2S |
|---|---|
| Molecular Weight | 567.15 g/mol |
| LogP | 6.3857 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 567.1496 |
| Heavy Atoms | 40 |
| Complexity | 1551.6378 |
Chemical Identifiers
| CAS Number | 694506-13-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)Cl |
Product Overview
4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide (CAS 694506-13-3), with molecular formula C31H26ClN5O2S and molecular weight 567.15 g/mol. IUPAC: N-[4-[5-[2-(benzhydrylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-chlorobenzamide.
Chemical Property Profile of 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide
Property Insights of 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide
The XLogP value of 6.3857 indicates that 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide. Following Lipinski's Rule of Five, 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide?
The CAS number of 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide is 694506-13-3.
What is the molecular formula of 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide?
The molecular formula of 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide is C31H26ClN5O2S.
What is the molecular weight of 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide?
The molecular weight of 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide is 567.15 g/mol.
Where can I buy 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide?
You can request a quote for 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-{4-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.