2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester
TL;DR: 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester (CAS 33365-71-8) is a chemical compound with molecular formula C18H24ClN5O5 and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[4-(6-chloropurin-7-yl)butyl]propanedioate
Also Known As: 4-N,N'-dimethylamino-4'-hydroxylstilbene, 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester, diethyl 2-acetamido-2-[4-(6-chloropurin-7-yl)butyl]propanedioate, 2-Acetylamino-2-[4-(6-chloropurin-7-yl)butyl]malonic acid diethyl ester, diethyl 2-acetamido-2-[4-(6-chloropurin-7-yl)butyl]propanedi
| Molecular Formula | C18H24ClN5O5 |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 425.1466 |
| Heavy Atoms | 29 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 33365-71-8 |
|---|---|
| SMILES | CCOC(=O)C(CCCCN1C=NC2=C1C(=NC=N2)Cl)(C(=O)OCC)NC(=O)C |
| InChIKey | QSGBDGARFWEUCX-UHFFFAOYSA-N |
Product Overview
2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester (CAS 33365-71-8), with molecular formula C18H24ClN5O5 and molecular weight 425.15 g/mol. IUPAC: diethyl 2-acetamido-2-[4-(6-chloropurin-7-yl)butyl]propanedioate.
Chemical Property Profile of 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester
Property Insights of 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester. Following Lipinski's Rule of Five, 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester has 1 hydrogen bond donor(s) and 8 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 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester?
The CAS number of 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester is 33365-71-8.
What is the molecular formula of 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester?
The molecular formula of 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester is C18H24ClN5O5.
What is the molecular weight of 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester?
The molecular weight of 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester is 425.15 g/mol.
Where can I buy 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester?
You can request a quote for 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylamino-2-(4-(6-chloropurin-7-yl)butyl)malonic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.