AN-648/42151748
TL;DR: AN-648/42151748 (CAS 662159-00-4) is a chemical compound with molecular formula C20H20BrFN4O2S and molecular weight 478.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-fluorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AN-648/42151748, N-(4-bromo-2-fluorophenyl)-2-({5-[(2,6-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(4-bromo-2-fluorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H20BrFN4O2S |
|---|---|
| Molecular Weight | 478.05 g/mol |
| LogP | 4.64334 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.04745 |
| Heavy Atoms | 29 |
| Complexity | 1021.0658 |
Chemical Identifiers
| CAS Number | 662159-00-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)Br)F |
Product Overview
AN-648/42151748 (CAS 662159-00-4), with molecular formula C20H20BrFN4O2S and molecular weight 478.05 g/mol. IUPAC: N-(4-bromo-2-fluorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AN-648/42151748
Property Insights of AN-648/42151748
The XLogP value of 4.64334 indicates that AN-648/42151748 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/42151748. Following Lipinski's Rule of Five, AN-648/42151748 has 1 hydrogen bond donor(s) and 5 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 AN-648/42151748?
The CAS number of AN-648/42151748 is 662159-00-4.
What is the molecular formula of AN-648/42151748?
The molecular formula of AN-648/42151748 is C20H20BrFN4O2S.
What is the molecular weight of AN-648/42151748?
The molecular weight of AN-648/42151748 is 478.05 g/mol.
Where can I buy AN-648/42151748?
You can request a quote for AN-648/42151748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/42151748?
Yes, KEHONG BIO provides custom synthesis services for AN-648/42151748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.