Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester
TL;DR: Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester (CAS 88692-29-9) is a chemical compound with molecular formula C14H7BrN2O5 and molecular weight 361.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4-cyano-6-nitrophenyl) phenyl carbonate
Also Known As: (2-bromo-4-cyano-6-nitro-phenyl) Phenyl Carbonate, Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester, (2-bromo-4-cyano-6-nitrophenyl) phenyl carbonate, 2-BROMO-4-CYANO-6-NITROPHENYL PHENYL CARBONATE, Carbonic acid phenyl(2-bromo-4-cyano-6-nitrophenyl) ester
| Molecular Formula | C14H7BrN2O5 |
|---|---|
| Molecular Weight | 361.95 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.95383 |
| Heavy Atoms | 22 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 88692-29-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)OC2=C(C=C(C=C2Br)C#N)[N+](=O)[O-] |
| InChIKey | RWDJRNKSUSKLFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester (CAS 88692-29-9), with molecular formula C14H7BrN2O5 and molecular weight 361.95 g/mol. IUPAC: (2-bromo-4-cyano-6-nitrophenyl) phenyl carbonate.
Chemical Property Profile of Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester
Property Insights of Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester
The XLogP value of 3.9 indicates that Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester. Following Lipinski's Rule of Five, Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester has 0 hydrogen bond donor(s) and 6 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 Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester?
The CAS number of Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester is 88692-29-9.
What is the molecular formula of Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester?
The molecular formula of Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester is C14H7BrN2O5.
What is the molecular weight of Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester?
The molecular weight of Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester is 361.95 g/mol.
Where can I buy Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester?
You can request a quote for Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, 2-bromo-4-cyano-6-nitrophenyl phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.