Phthalic acid, mono-tert-butyl ester, ammonium salt
TL;DR: Phthalic acid, mono-tert-butyl ester, ammonium salt (CAS 101976-13-0) 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-[(2-methylpropan-2-yl)oxycarbonyl]benzoate
Also Known As: starbld0020703, Mono-tert-butyl phthalate ammonium salt, Phthalic acid, mono-tert-butyl ester, ammonium salt, AMMONIUM 2-(TERT-BUTOXYCARBONYL)BENZOATE, azanium 2-[(2-methylpropan-2-yl)oxycarbonyl]benzoate
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 1.3816 |
| Topological Polar Surface Area | 102.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 420.75897 |
Chemical Identifiers
| CAS Number | 101976-13-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)[O-].[NH4+] |
Product Overview
Phthalic acid, mono-tert-butyl ester, ammonium salt (CAS 101976-13-0), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: azanium 2-[(2-methylpropan-2-yl)oxycarbonyl]benzoate.
Chemical Property Profile of Phthalic acid, mono-tert-butyl ester, ammonium salt
Property Insights of Phthalic acid, mono-tert-butyl ester, ammonium salt
The XLogP value of 1.3816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalic acid, mono-tert-butyl ester, ammonium salt. The TPSA of 102.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Phthalic acid, mono-tert-butyl ester, ammonium salt. Following Lipinski's Rule of Five, Phthalic acid, mono-tert-butyl ester, ammonium salt 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 Phthalic acid, mono-tert-butyl ester, ammonium salt?
The CAS number of Phthalic acid, mono-tert-butyl ester, ammonium salt is 101976-13-0.
What is the molecular formula of Phthalic acid, mono-tert-butyl ester, ammonium salt?
The molecular formula of Phthalic acid, mono-tert-butyl ester, ammonium salt is C12H17NO4.
What is the molecular weight of Phthalic acid, mono-tert-butyl ester, ammonium salt?
The molecular weight of Phthalic acid, mono-tert-butyl ester, ammonium salt is 239.12 g/mol.
Where can I buy Phthalic acid, mono-tert-butyl ester, ammonium salt?
You can request a quote for Phthalic acid, mono-tert-butyl ester, ammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalic acid, mono-tert-butyl ester, ammonium salt?
Yes, KEHONG BIO provides custom synthesis services for Phthalic acid, mono-tert-butyl ester, ammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.