3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester
TL;DR: 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester (CAS 67973-25-5) is a chemical compound with molecular formula C21H15BrN2O7 and molecular weight 486.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-bromo-2,6-dinitro-5-phenylmethoxybenzoate
Also Known As: Procarbazinehydrochloride, 3-BROMO-5-BENZYLOXY-2,6-DINITROBENZOIC ACID BENZYL ESTER, benzyl 3-bromo-2,6-dinitro-5-phenylmethoxybenzoate, benzyl 3-(benzyloxy)-5-bromo-2,6-dinitrobenzoate, Benzyl 3-bromo-2,6-dinitro-5-phenylmethoxy-benzoate
| Molecular Formula | C21H15BrN2O7 |
|---|---|
| Molecular Weight | 486.01 g/mol |
| LogP | 5.2015 |
| Topological Polar Surface Area | 121.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.00626 |
| Heavy Atoms | 31 |
| Complexity | 1121.5771 |
Chemical Identifiers
| CAS Number | 67973-25-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC(=C(C(=C2[N+](=O)[O-])C(=O)OCC3=CC=CC=C3)[N+](=O)[O-])Br |
Product Overview
3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester (CAS 67973-25-5), with molecular formula C21H15BrN2O7 and molecular weight 486.01 g/mol. IUPAC: benzyl 3-bromo-2,6-dinitro-5-phenylmethoxybenzoate.
Chemical Property Profile of 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester
Property Insights of 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester
The XLogP value of 5.2015 indicates that 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester. Following Lipinski's Rule of Five, 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester?
The CAS number of 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester is 67973-25-5.
What is the molecular formula of 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester?
The molecular formula of 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester is C21H15BrN2O7.
What is the molecular weight of 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester?
The molecular weight of 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester is 486.01 g/mol.
Where can I buy 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester?
You can request a quote for 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-benzyloxy-2,6-dinitrobenzoic acid benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.