(3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate
TL;DR: (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate (CAS 79988-86-6) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(3,5-dimethylbenzoyl)amino]-pyridin-4-ylmethyl] acetate
Also Known As: (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate, [[(3,5-dimethylbenzoyl)amino]-pyridin-4-ylmethyl] acetate, [[(3,5-dimethylbenzoyl)amino]-pyridin-4-yl-methyl] acetate, [(3,5-DIMETHYLPHENYL)FORMAMIDO](PYRIDIN-4-YL)METHYL ACETATE, Acetic acid (4-pyridinyl)(3,5-dimethylbenzoylamino)methyl ester
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 79988-86-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)NC(C2=CC=NC=C2)OC(=O)C)C |
| InChIKey | ROWAEDFSUGUOCG-UHFFFAOYSA-N |
Product Overview
(3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate (CAS 79988-86-6), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: [[(3,5-dimethylbenzoyl)amino]-pyridin-4-ylmethyl] acetate.
Chemical Property Profile of (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate
Property Insights of (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate. Following Lipinski's Rule of Five, (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate has 1 hydrogen bond donor(s) and 4 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 (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate?
The CAS number of (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate is 79988-86-6.
What is the molecular formula of (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate?
The molecular formula of (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate is C17H18N2O3.
What is the molecular weight of (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate?
The molecular weight of (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate is 298.13 g/mol.
Where can I buy (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate?
You can request a quote for (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dimethylbenzamido)(pyridin-4-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.