![Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate structure](/static/products/835/83589-46-2.png)
Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate
TL;DR: Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate (CAS 83589-46-2) is a chemical compound with molecular formula C31H44N2O7S and molecular weight 588.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate
Also Known As: diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate, diethyl n-(4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoyl)glutamate, diethyl (4-((4-methyl-N-octylphenyl)sulfonamido)benzoyl)glutamate, diethyl 2-[[4-[octyl(p-tolylsulfonyl)amino]benzoyl]amino]pentanedioate, Diethyl N-{4-[[(4-methylphenyl)sulfonyl](octyl)amino]benzoyl}glutamate
| Molecular Formula | C31H44N2O7S |
|---|---|
| Molecular Weight | 588.29 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 588.2869 |
| Heavy Atoms | 41 |
| Complexity | 889.0 |
Chemical Identifiers
| CAS Number | 83589-46-2 |
|---|---|
| SMILES | CCCCCCCCN(C1=CC=C(C=C1)C(=O)NC(CCC(=O)OCC)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | XWBJRJFMCJWWOB-UHFFFAOYSA-N |
Product Overview
Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate (CAS 83589-46-2), with molecular formula C31H44N2O7S and molecular weight 588.29 g/mol. IUPAC: diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate.
Chemical Property Profile of Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate
Property Insights of Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate
The XLogP value of 6.6 indicates that Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate. Following Lipinski's Rule of Five, Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate?
The CAS number of Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate is 83589-46-2.
What is the molecular formula of Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate?
The molecular formula of Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate is C31H44N2O7S.
What is the molecular weight of Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate?
The molecular weight of Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate is 588.29 g/mol.
Where can I buy Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate?
You can request a quote for Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]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-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.