AP-828/42182229
TL;DR: AP-828/42182229 (CAS 694507-80-7) is a chemical compound with molecular formula C21H21Cl2N5O3S and molecular weight 493.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: AP-828/42182229, 2,4-dichloro-N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide, 2,4-dichloro-N-{[5-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide, 2,4-dichloro-N-[(5-{[2-(4-ethoxyanilino)-2-oxoethyl]thio}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
| Molecular Formula | C21H21Cl2N5O3S |
|---|---|
| Molecular Weight | 493.07 g/mol |
| LogP | 4.1814 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.07422 |
| Heavy Atoms | 32 |
| Complexity | 1105.3146 |
Chemical Identifiers
| CAS Number | 694507-80-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
AP-828/42182229 (CAS 694507-80-7), with molecular formula C21H21Cl2N5O3S and molecular weight 493.07 g/mol. IUPAC: 2,4-dichloro-N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of AP-828/42182229
Property Insights of AP-828/42182229
The XLogP value of 4.1814 indicates that AP-828/42182229 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/42182229. Following Lipinski's Rule of Five, AP-828/42182229 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 AP-828/42182229?
The CAS number of AP-828/42182229 is 694507-80-7.
What is the molecular formula of AP-828/42182229?
The molecular formula of AP-828/42182229 is C21H21Cl2N5O3S.
What is the molecular weight of AP-828/42182229?
The molecular weight of AP-828/42182229 is 493.07 g/mol.
Where can I buy AP-828/42182229?
You can request a quote for AP-828/42182229 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/42182229?
Yes, KEHONG BIO provides custom synthesis services for AP-828/42182229 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.