Impletol
TL;DR: Impletol (CAS 8013-38-5) is a chemical compound with molecular formula C21H31ClN6O4 and molecular weight 466.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-aminobenzoate;1,3,7-trimethylpurine-2,6-dione;hydrochloride
Also Known As: Impletol, Cofocain, Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, monohydrochloride, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, 2-(diethylamino)ethyl 4-aminobenzoate,1,3,7-trimethylpurine-2,6-dione,hydrochloride, 2-diethylaminoethyl 4-aminobenzoate; 1,3,7-trimethylpurine-2,6-dione; hydrochloride
| Molecular Formula | C21H31ClN6O4 |
|---|---|
| Molecular Weight | 466.21 g/mol |
| LogP | 1.1599 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.20953 |
| Heavy Atoms | 32 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 8013-38-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl |
| InChIKey | KLLJPGZYSIBGFA-UHFFFAOYSA-N |
Product Overview
Impletol (CAS 8013-38-5), with molecular formula C21H31ClN6O4 and molecular weight 466.21 g/mol. IUPAC: 2-(diethylamino)ethyl 4-aminobenzoate;1,3,7-trimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of Impletol
Property Insights of Impletol
The XLogP value of 1.1599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Impletol. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Impletol. Following Lipinski's Rule of Five, Impletol has 2 hydrogen bond donor(s) and 7 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 Impletol?
The CAS number of Impletol is 8013-38-5.
What is the molecular formula of Impletol?
The molecular formula of Impletol is C21H31ClN6O4.
What is the molecular weight of Impletol?
The molecular weight of Impletol is 466.21 g/mol.
Where can I buy Impletol?
You can request a quote for Impletol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Impletol?
Yes, KEHONG BIO provides custom synthesis services for Impletol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.