![Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate structure](/static/products/1163/116387-21-4.webp)
Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate
TL;DR: Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate (CAS 116387-21-4) is a chemical compound with molecular formula C16H20INO5 and molecular weight 433.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-iodobenzoyl)amino]pentanedioate
Also Known As: diethyl 4-iodobenzoyl-l-glutamate, Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate, diethyl 2-(4-iodobenzamido)pentanedioate, BAS 00238753, 4-iodobenzoyl-L-glutamic acid diethyl ester
| Molecular Formula | C16H20INO5 |
|---|---|
| Molecular Weight | 433.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 433.03864 |
| Heavy Atoms | 23 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 116387-21-4 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)I |
| InChIKey | RQYOVSAJDTUHDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate (CAS 116387-21-4), with molecular formula C16H20INO5 and molecular weight 433.04 g/mol. IUPAC: diethyl 2-[(4-iodobenzoyl)amino]pentanedioate.
Chemical Property Profile of Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate
Property Insights of Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate. Following Lipinski's Rule of Five, Diethyl 2-[(4-iodobenzoyl)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-iodobenzoyl)amino]pentanedioate?
The CAS number of Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate is 116387-21-4.
What is the molecular formula of Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate?
The molecular formula of Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate is C16H20INO5.
What is the molecular weight of Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate?
The molecular weight of Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate is 433.04 g/mol.
Where can I buy Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate?
You can request a quote for Diethyl 2-[(4-iodobenzoyl)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-iodobenzoyl)amino]pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(4-iodobenzoyl)amino]pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.