![2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide structure](/static/products/6944/694476-85-2.webp)
2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide
TL;DR: 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide (CAS 694476-85-2) is a chemical compound with molecular formula C25H30ClN5O2S and molecular weight 499.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
Also Known As: 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide, 2-chloro-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
| Molecular Formula | C25H30ClN5O2S |
|---|---|
| Molecular Weight | 499.18 g/mol |
| LogP | 5.4498 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.18088 |
| Heavy Atoms | 34 |
| Complexity | 1144.4626 |
Chemical Identifiers
| CAS Number | 694476-85-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(C(C)C)NC(=O)C3=CC=CC=C3Cl |
Product Overview
2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide (CAS 694476-85-2), with molecular formula C25H30ClN5O2S and molecular weight 499.18 g/mol. IUPAC: 2-chloro-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide.
Chemical Property Profile of 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide
Property Insights of 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide
The XLogP value of 5.4498 indicates that 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)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 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide. Following Lipinski's Rule of Five, 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)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 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide?
The CAS number of 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide is 694476-85-2.
What is the molecular formula of 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide?
The molecular formula of 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide is C25H30ClN5O2S.
What is the molecular weight of 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide?
The molecular weight of 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide is 499.18 g/mol.
Where can I buy 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide?
You can request a quote for 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.