AP-828/42182103
TL;DR: AP-828/42182103 (CAS 694505-52-7) is a chemical compound with molecular formula C21H22FN5O3S and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[[5-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: AP-828/42182103, 2-fluoro-N-[[5-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide, 2-fluoro-N-{[5-({2-[(2-methoxy-5-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide, 2-fluoro-N-[(5-{[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
| Molecular Formula | C21H22FN5O3S |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 2.93202 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.14273 |
| Heavy Atoms | 31 |
| Complexity | 1102.3693 |
Chemical Identifiers
| CAS Number | 694505-52-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3F |
Product Overview
AP-828/42182103 (CAS 694505-52-7), with molecular formula C21H22FN5O3S and molecular weight 443.14 g/mol. IUPAC: 2-fluoro-N-[[5-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of AP-828/42182103
Property Insights of AP-828/42182103
The XLogP value of 2.93202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-828/42182103. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/42182103. Following Lipinski's Rule of Five, AP-828/42182103 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-828/42182103?
The CAS number of AP-828/42182103 is 694505-52-7.
What is the molecular formula of AP-828/42182103?
The molecular formula of AP-828/42182103 is C21H22FN5O3S.
What is the molecular weight of AP-828/42182103?
The molecular weight of AP-828/42182103 is 443.14 g/mol.
Where can I buy AP-828/42182103?
You can request a quote for AP-828/42182103 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/42182103?
Yes, KEHONG BIO provides custom synthesis services for AP-828/42182103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.