Diethyl N-benzylimidocarbonate
TL;DR: Diethyl N-benzylimidocarbonate (CAS 6263-03-2) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-1,1-diethoxymethanimine
Also Known As: Diethyl N-benzylimidocarbonate, diethyl benzylcarbonimidate, N-benzyl-1,1-diethoxymethanimine, Benzylimidocarbonicaciddiethylester, Benzylimidocarbonic acid diethyl ester
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 30.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 6263-03-2 |
|---|---|
| SMILES | CCOC(=NCC1=CC=CC=C1)OCC |
| InChIKey | QSRFFNPQGDHQLT-UHFFFAOYSA-N |
Product Overview
Diethyl N-benzylimidocarbonate (CAS 6263-03-2), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: N-benzyl-1,1-diethoxymethanimine.
Chemical Property Profile of Diethyl N-benzylimidocarbonate
Property Insights of Diethyl N-benzylimidocarbonate
The XLogP value of 3.0 indicates that Diethyl N-benzylimidocarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.8 Ų, Diethyl N-benzylimidocarbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl N-benzylimidocarbonate has 0 hydrogen bond donor(s) and 3 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 N-benzylimidocarbonate?
The CAS number of Diethyl N-benzylimidocarbonate is 6263-03-2.
What is the molecular formula of Diethyl N-benzylimidocarbonate?
The molecular formula of Diethyl N-benzylimidocarbonate is C12H17NO2.
What is the molecular weight of Diethyl N-benzylimidocarbonate?
The molecular weight of Diethyl N-benzylimidocarbonate is 207.13 g/mol.
Where can I buy Diethyl N-benzylimidocarbonate?
You can request a quote for Diethyl N-benzylimidocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl N-benzylimidocarbonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl N-benzylimidocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.