Propyl 4-(2-methylpentanoylamino)benzoate
TL;DR: Propyl 4-(2-methylpentanoylamino)benzoate (CAS 335204-86-9) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-(2-methylpentanoylamino)benzoate
Also Known As: BAS 02257714, propyl 4-(2-methylpentanoylamino)benzoate, PROPYL 4-(2-METHYLPENTANAMIDO)BENZOATE, propyl 4-[(2-methylpentanoyl)amino]benzoate, 4-(2-Methyl-pentanoylamino)-benzoic acid propyl ester
| Molecular Formula | C16H23NO3 |
|---|---|
| Molecular Weight | 277.17 g/mol |
| LogP | 3.6281 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 277.1678 |
| Heavy Atoms | 20 |
| Complexity | 439.54013 |
Chemical Identifiers
| CAS Number | 335204-86-9 |
|---|---|
| SMILES | CCCC(C)C(=O)NC1=CC=C(C=C1)C(=O)OCCC |
Product Overview
Propyl 4-(2-methylpentanoylamino)benzoate (CAS 335204-86-9), with molecular formula C16H23NO3 and molecular weight 277.17 g/mol. IUPAC: propyl 4-(2-methylpentanoylamino)benzoate.
Chemical Property Profile of Propyl 4-(2-methylpentanoylamino)benzoate
Property Insights of Propyl 4-(2-methylpentanoylamino)benzoate
The XLogP value of 3.6281 indicates that Propyl 4-(2-methylpentanoylamino)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, Propyl 4-(2-methylpentanoylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 4-(2-methylpentanoylamino)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 Propyl 4-(2-methylpentanoylamino)benzoate?
The CAS number of Propyl 4-(2-methylpentanoylamino)benzoate is 335204-86-9.
What is the molecular formula of Propyl 4-(2-methylpentanoylamino)benzoate?
The molecular formula of Propyl 4-(2-methylpentanoylamino)benzoate is C16H23NO3.
What is the molecular weight of Propyl 4-(2-methylpentanoylamino)benzoate?
The molecular weight of Propyl 4-(2-methylpentanoylamino)benzoate is 277.17 g/mol.
Where can I buy Propyl 4-(2-methylpentanoylamino)benzoate?
You can request a quote for Propyl 4-(2-methylpentanoylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-(2-methylpentanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-(2-methylpentanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.