Ammonium 2-(butoxycarbonyl)benzoate
TL;DR: Ammonium 2-(butoxycarbonyl)benzoate (CAS 79026-43-0) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 2-butoxycarbonylbenzoate
Also Known As: ammonium 2-(butoxycarbonyl)benzoate, starbld0023397, Mono-n-butyl phthalate ammonium salt, azanium 2-butoxycarbonylbenzoate, Phthalic acid, monobutyl ester, ammonium salt
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 1.3832 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 79026-43-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[NH4+] |
| InChIKey | CTZJMAUBTHDVBI-UHFFFAOYSA-N |
Product Overview
Ammonium 2-(butoxycarbonyl)benzoate (CAS 79026-43-0), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: azanium 2-butoxycarbonylbenzoate.
Chemical Property Profile of Ammonium 2-(butoxycarbonyl)benzoate
Property Insights of Ammonium 2-(butoxycarbonyl)benzoate
The XLogP value of 1.3832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium 2-(butoxycarbonyl)benzoate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium 2-(butoxycarbonyl)benzoate. Following Lipinski's Rule of Five, Ammonium 2-(butoxycarbonyl)benzoate 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 Ammonium 2-(butoxycarbonyl)benzoate?
The CAS number of Ammonium 2-(butoxycarbonyl)benzoate is 79026-43-0.
What is the molecular formula of Ammonium 2-(butoxycarbonyl)benzoate?
The molecular formula of Ammonium 2-(butoxycarbonyl)benzoate is C12H17NO4.
What is the molecular weight of Ammonium 2-(butoxycarbonyl)benzoate?
The molecular weight of Ammonium 2-(butoxycarbonyl)benzoate is 239.12 g/mol.
Where can I buy Ammonium 2-(butoxycarbonyl)benzoate?
You can request a quote for Ammonium 2-(butoxycarbonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium 2-(butoxycarbonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium 2-(butoxycarbonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.