n-Boc-n-methyl-4-chloroanthranilic acid
TL;DR: n-Boc-n-methyl-4-chloroanthranilic acid (CAS 886362-06-7) is a chemical compound with molecular formula C13H16ClNO4 and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoic acid
Also Known As: n-boc-n-methyl-4-chloroanthranilic acid, anthranilic acid, n-boc-n-methyl-4-chloro, 2-(tert-Butoxycarbonyl-methyl-amino)-4-chloro-benzoic acid, 2-((tert-Butoxycarbonyl)(methyl)amino)-4-chlorobenzoic acid, Anthranilicacid,N-Boc-N-methyl-4-chloro
| Molecular Formula | C13H16ClNO4 |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 3.4095 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.07678 |
| Heavy Atoms | 19 |
| Complexity | 507.85495 |
Chemical Identifiers
| CAS Number | 886362-06-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N(C)C1=C(C=CC(=C1)Cl)C(=O)O |
Product Overview
n-Boc-n-methyl-4-chloroanthranilic acid (CAS 886362-06-7), with molecular formula C13H16ClNO4 and molecular weight 285.08 g/mol. IUPAC: 4-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoic acid.
Chemical Property Profile of n-Boc-n-methyl-4-chloroanthranilic acid
Property Insights of n-Boc-n-methyl-4-chloroanthranilic acid
The XLogP value of 3.4095 indicates that n-Boc-n-methyl-4-chloroanthranilic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Boc-n-methyl-4-chloroanthranilic acid. Following Lipinski's Rule of Five, n-Boc-n-methyl-4-chloroanthranilic acid 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 n-Boc-n-methyl-4-chloroanthranilic acid?
The CAS number of n-Boc-n-methyl-4-chloroanthranilic acid is 886362-06-7.
What is the molecular formula of n-Boc-n-methyl-4-chloroanthranilic acid?
The molecular formula of n-Boc-n-methyl-4-chloroanthranilic acid is C13H16ClNO4.
What is the molecular weight of n-Boc-n-methyl-4-chloroanthranilic acid?
The molecular weight of n-Boc-n-methyl-4-chloroanthranilic acid is 285.08 g/mol.
Where can I buy n-Boc-n-methyl-4-chloroanthranilic acid?
You can request a quote for n-Boc-n-methyl-4-chloroanthranilic 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-n-methyl-4-chloroanthranilic acid?
Yes, KEHONG BIO provides custom synthesis services for n-Boc-n-methyl-4-chloroanthranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.