1-(2-methoxy-3,5-dimethylphenyl)propan-1-one
TL;DR: 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one (CAS 5384-04-3) is a chemical compound with molecular formula C24H20ClN5O3S and molecular weight 493.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Also Known As: 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one, 2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, 2-{[4-(3-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
| Molecular Formula | C24H20ClN5O3S |
|---|---|
| Molecular Weight | 493.10 g/mol |
| LogP | 4.79312 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.09753 |
| Heavy Atoms | 34 |
| Complexity | 1345.9503 |
Chemical Identifiers
| CAS Number | 5384-04-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=NC=C5 |
Product Overview
1-(2-methoxy-3,5-dimethylphenyl)propan-1-one (CAS 5384-04-3), with molecular formula C24H20ClN5O3S and molecular weight 493.10 g/mol. IUPAC: 2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
Chemical Property Profile of 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one
Property Insights of 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one
The XLogP value of 4.79312 indicates that 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one. Following Lipinski's Rule of Five, 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one has 1 hydrogen bond donor(s) and 7 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 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one?
The CAS number of 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one is 5384-04-3.
What is the molecular formula of 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one?
The molecular formula of 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one is C24H20ClN5O3S.
What is the molecular weight of 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one?
The molecular weight of 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one is 493.10 g/mol.
Where can I buy 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one?
You can request a quote for 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-methoxy-3,5-dimethylphenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.