![Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate structure](/static/products/405/40536-71-8.png)
Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate
TL;DR: Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate (CAS 40536-71-8) is a chemical compound with molecular formula C18H27NO4 and molecular weight 321.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(1-adamantylamino)methylidene]propanedioate
Also Known As: BAS 01315236, diethyl 2-[(1-adamantylamino)methylidene]propanedioate, 2-(Adamantan-1-ylaminomethylene)-malonic acid diethyl ester, diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate, diethyl 2-(((3s,5s,7s)-adamantan-1-ylamino)methylene)malonate
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 2.5549 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.194 |
| Heavy Atoms | 23 |
| Complexity | 455.86676 |
Chemical Identifiers
| CAS Number | 40536-71-8 |
|---|---|
| SMILES | CCOC(=O)C(=CNC12CC3CC(C1)CC(C3)C2)C(=O)OCC |
Product Overview
Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate (CAS 40536-71-8), with molecular formula C18H27NO4 and molecular weight 321.19 g/mol. IUPAC: diethyl 2-[(1-adamantylamino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate
Property Insights of Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate
The XLogP value of 2.5549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate. Following Lipinski's Rule of Five, Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate 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-[(adamantanylamino)methylene]propane-1,3-dioate?
The CAS number of Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate is 40536-71-8.
What is the molecular formula of Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate?
The molecular formula of Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate is C18H27NO4.
What is the molecular weight of Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate?
The molecular weight of Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate is 321.19 g/mol.
Where can I buy Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate?
You can request a quote for Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(adamantanylamino)methylene]propane-1,3-dioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.