3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid
TL;DR: 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid (CAS 133887-83-9) is a chemical compound with molecular formula C17H24N2O6 and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Also Known As: 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid, 3,5-Bis-Boc-aminobenzoic acid, Boc-Daba-OH, Boc2-3,5-DABA-OH, 3,5-Bis(Boc-amino)benzoic acid
| Molecular Formula | C17H24N2O6 |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 4.0788 |
| Topological Polar Surface Area | 113.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.16342 |
| Heavy Atoms | 25 |
| Complexity | 622.44617 |
Chemical Identifiers
| CAS Number | 133887-83-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC(=CC(=C1)C(=O)O)NC(=O)OC(C)(C)C |
Product Overview
3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid (CAS 133887-83-9), with molecular formula C17H24N2O6 and molecular weight 352.16 g/mol. IUPAC: 3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid.
Chemical Property Profile of 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid
Property Insights of 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid
The XLogP value of 4.0788 indicates that 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid. Following Lipinski's Rule of Five, 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid has 3 hydrogen bond donor(s) and 5 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-Bis((tert-butoxycarbonyl)amino)benzoic acid?
The CAS number of 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid is 133887-83-9.
What is the molecular formula of 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid?
The molecular formula of 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid is C17H24N2O6.
What is the molecular weight of 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid?
The molecular weight of 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid is 352.16 g/mol.
Where can I buy 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid?
You can request a quote for 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.