N-Boc-5-Bromoanthranilic acid
TL;DR: N-Boc-5-Bromoanthranilic acid (CAS 306937-20-2) is a chemical compound with molecular formula C12H14BrNO4 and molecular weight 315.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Also Known As: N-Boc-5-Bromoanthranilic acid, 5-Bromo-2-((tert-butoxycarbonyl)amino)benzoic acid, Boc-2-amino-5-bromobenzoic acid, N-Boc-5-bromoanthranilicacid, 2-Amino-5-bromobenzoic acid
| Molecular Formula | C12H14BrNO4 |
|---|---|
| Molecular Weight | 315.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.01062 |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 306937-20-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Br)C(=O)O |
| InChIKey | XRMSYCMCKRUWJD-UHFFFAOYSA-N |
Product Overview
N-Boc-5-Bromoanthranilic acid (CAS 306937-20-2), with molecular formula C12H14BrNO4 and molecular weight 315.01 g/mol. IUPAC: 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid.
Chemical Property Profile of N-Boc-5-Bromoanthranilic acid
Property Insights of N-Boc-5-Bromoanthranilic acid
The XLogP value of 3.3 indicates that N-Boc-5-Bromoanthranilic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Boc-5-Bromoanthranilic acid. Following Lipinski's Rule of Five, N-Boc-5-Bromoanthranilic acid has 2 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 N-Boc-5-Bromoanthranilic acid?
The CAS number of N-Boc-5-Bromoanthranilic acid is 306937-20-2.
What is the molecular formula of N-Boc-5-Bromoanthranilic acid?
The molecular formula of N-Boc-5-Bromoanthranilic acid is C12H14BrNO4.
What is the molecular weight of N-Boc-5-Bromoanthranilic acid?
The molecular weight of N-Boc-5-Bromoanthranilic acid is 315.01 g/mol.
Where can I buy N-Boc-5-Bromoanthranilic acid?
You can request a quote for N-Boc-5-Bromoanthranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Boc-5-Bromoanthranilic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Boc-5-Bromoanthranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.