Benzoic acid, 2-amino-3,5-dibromo-, methyl ester
TL;DR: Benzoic acid, 2-amino-3,5-dibromo-, methyl ester (CAS 606-00-8) is a chemical compound with molecular formula C8H7Br2NO2 and molecular weight 306.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-3,5-dibromobenzoate
Also Known As: Methyl 2-amino-3,5-dibromobenzoate, Methyl 3,5-dibromoanthranilate, Bromhexine Impurity 34, Bromhexine Impurity 103, Benzoic acid, 2-amino-3,5-dibromo-, methyl ester
| Molecular Formula | C8H7Br2NO2 |
|---|---|
| Molecular Weight | 306.88 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.8823 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 606-00-8 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC(=C1)Br)Br)N |
| InChIKey | NGXVMFCGYYHEGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-amino-3,5-dibromo-, methyl ester (CAS 606-00-8), with molecular formula C8H7Br2NO2 and molecular weight 306.88 g/mol. IUPAC: methyl 2-amino-3,5-dibromobenzoate.
Chemical Property Profile of Benzoic acid, 2-amino-3,5-dibromo-, methyl ester
Property Insights of Benzoic acid, 2-amino-3,5-dibromo-, methyl ester
The XLogP value of 3.0 indicates that Benzoic acid, 2-amino-3,5-dibromo-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Benzoic acid, 2-amino-3,5-dibromo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-amino-3,5-dibromo-, methyl ester 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 Benzoic acid, 2-amino-3,5-dibromo-, methyl ester?
The CAS number of Benzoic acid, 2-amino-3,5-dibromo-, methyl ester is 606-00-8.
What is the molecular formula of Benzoic acid, 2-amino-3,5-dibromo-, methyl ester?
The molecular formula of Benzoic acid, 2-amino-3,5-dibromo-, methyl ester is C8H7Br2NO2.
What is the molecular weight of Benzoic acid, 2-amino-3,5-dibromo-, methyl ester?
The molecular weight of Benzoic acid, 2-amino-3,5-dibromo-, methyl ester is 306.88 g/mol.
Where can I buy Benzoic acid, 2-amino-3,5-dibromo-, methyl ester?
You can request a quote for Benzoic acid, 2-amino-3,5-dibromo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-amino-3,5-dibromo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-amino-3,5-dibromo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.