Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate
TL;DR: Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate (CAS 55044-20-7) is a chemical compound with molecular formula C19H29NO3 and molecular weight 319.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate
Also Known As: methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate, methyl 3-(2,2-dimethylbutanamido)-5-(3-methylbutyl)benzoate, Methyl 3-[(2,2-dimethylbutanoyl)amino]-5-isopentylbenzoate, Methyl 3-[(2,2-dimethylbutanoyl)amino]-5-isopentylbenzoate #, 3-[(2,2-Dimethyl-1-oxobutyl)amino]-5-(3-methylbutyl)benzoic acid methyl ester
| Molecular Formula | C19H29NO3 |
|---|---|
| Molecular Weight | 319.21 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 319.21475 |
| Heavy Atoms | 23 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 55044-20-7 |
|---|---|
| SMILES | CCC(C)(C)C(=O)NC1=CC(=CC(=C1)C(=O)OC)CCC(C)C |
| InChIKey | UEDYNURRYWAWOG-UHFFFAOYSA-N |
Product Overview
Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate (CAS 55044-20-7), with molecular formula C19H29NO3 and molecular weight 319.21 g/mol. IUPAC: methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate.
Chemical Property Profile of Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate
Property Insights of Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate
The XLogP value of 4.8 indicates that Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate has 1 hydrogen bond donor(s) and 3 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 Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate?
The CAS number of Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate is 55044-20-7.
What is the molecular formula of Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate?
The molecular formula of Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate is C19H29NO3.
What is the molecular weight of Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate?
The molecular weight of Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate is 319.21 g/mol.
Where can I buy Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate?
You can request a quote for Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2,2-dimethylbutanoylamino)-5-(3-methylbutyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.