![Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate structure](/static/products/861/861209-83-8.png)
Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate
TL;DR: Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate (CAS 861209-83-8) is a chemical compound with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[5-[(4-tert-butylbenzoyl)amino]-2-pyridinyl]propanedioate
Also Known As: dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate, 1,3-dimethyl 2-[5-(4-tert-butylbenzamido)pyridin-2-yl]propanedioate, 2W-0005, dimethyl 2-[5-[(4-tert-butylbenzoyl)amino]pyridin-2-yl]propanedioate, 1,3-dimethyl2-[5-(4-tert-butylbenzamido)pyridin-2-yl]propanedioate
| Molecular Formula | C21H24N2O5 |
|---|---|
| Molecular Weight | 384.17 g/mol |
| LogP | 3.061 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.16852 |
| Heavy Atoms | 28 |
| Complexity | 835.85986 |
Chemical Identifiers
| CAS Number | 861209-83-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)C(C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate (CAS 861209-83-8), with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol. IUPAC: dimethyl 2-[5-[(4-tert-butylbenzoyl)amino]-2-pyridinyl]propanedioate.
Chemical Property Profile of Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate
Property Insights of Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate
The XLogP value of 3.061 indicates that Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate. Following Lipinski's Rule of Five, Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate has 1 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 Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate?
The CAS number of Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate is 861209-83-8.
What is the molecular formula of Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate?
The molecular formula of Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate is C21H24N2O5.
What is the molecular weight of Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate?
The molecular weight of Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate is 384.17 g/mol.
Where can I buy Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate?
You can request a quote for Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.