![Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate structure](/static/products/7058/70583-33-4.webp)
Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate
TL;DR: Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate (CAS 70583-33-4) is a chemical compound with molecular formula C17H22BrNO5 and molecular weight 399.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate
Also Known As: diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate, Diethyl N-[4-(bromomethyl)benzoyl]glutamate
| Molecular Formula | C17H22BrNO5 |
|---|---|
| Molecular Weight | 399.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 399.06815 |
| Heavy Atoms | 24 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 70583-33-4 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CBr |
| InChIKey | TWPIQHUQGNKXGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate (CAS 70583-33-4), with molecular formula C17H22BrNO5 and molecular weight 399.07 g/mol. IUPAC: diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate.
Chemical Property Profile of Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate
Property Insights of Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate. Following Lipinski's Rule of Five, Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate has 1 hydrogen bond donor(s) and 5 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 Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate?
The CAS number of Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate is 70583-33-4.
What is the molecular formula of Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate?
The molecular formula of Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate is C17H22BrNO5.
What is the molecular weight of Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate?
The molecular weight of Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate is 399.07 g/mol.
Where can I buy Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate?
You can request a quote for Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[[4-(bromomethyl)benzoyl]amino]pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.