RefChem:1078293
TL;DR: RefChem:1078293 (CAS 76489-33-3) is a chemical compound with molecular formula C25H22BrNO3 and molecular weight 463.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenyl)-3-methylbutanoate
Also Known As: RES 2664, Benzeneacetic acid, 4-bromo-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, cyano(3-phenoxyphenyl)methyl 2-(4-bromophenyl)-3-methylbutanoate, [cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenyl)-3-methylbutanoate, [cyano-[3-(phenoxy)phenyl]methyl] 2-(4-bromophenyl)-3-methylbutanoate
| Molecular Formula | C25H22BrNO3 |
|---|---|
| Molecular Weight | 463.08 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.0783 |
| Heavy Atoms | 30 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 76489-33-3 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)Br)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3 |
| InChIKey | ZFQMDARKBVDVNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1078293 (CAS 76489-33-3), with molecular formula C25H22BrNO3 and molecular weight 463.08 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenyl)-3-methylbutanoate.
Chemical Property Profile of RefChem:1078293
Property Insights of RefChem:1078293
The XLogP value of 6.3 indicates that RefChem:1078293 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, RefChem:1078293 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1078293 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1078293?
The CAS number of RefChem:1078293 is 76489-33-3.
What is the molecular formula of RefChem:1078293?
The molecular formula of RefChem:1078293 is C25H22BrNO3.
What is the molecular weight of RefChem:1078293?
The molecular weight of RefChem:1078293 is 463.08 g/mol.
Where can I buy RefChem:1078293?
You can request a quote for RefChem:1078293 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078293?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078293 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.