Diethyl chlorocarbonimidate
TL;DR: Diethyl chlorocarbonimidate (CAS 24770-45-4) is a chemical compound with molecular formula C5H10ClNO2 and molecular weight 151.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-chloro-1,1-diethoxymethanimine
Also Known As: diethyl chlorocarbonimidate, N-chloro-1,1-diethoxymethanimine, diethyl N-carboxymethyl-aminomethyl-phosphonate, 3-(dimethylamino)-3-methyl-1-phenylbutan-1-one,hydrochloride
| Molecular Formula | C5H10ClNO2 |
|---|---|
| Molecular Weight | 151.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 30.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 151.04001 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 24770-45-4 |
|---|---|
| SMILES | CCOC(=NCl)OCC |
| InChIKey | ANTFPCQMKHRRTO-UHFFFAOYSA-N |
Product Overview
Diethyl chlorocarbonimidate (CAS 24770-45-4), with molecular formula C5H10ClNO2 and molecular weight 151.04 g/mol. IUPAC: N-chloro-1,1-diethoxymethanimine.
Chemical Property Profile of Diethyl chlorocarbonimidate
Property Insights of Diethyl chlorocarbonimidate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl chlorocarbonimidate. With a topological polar surface area (TPSA) of 30.8 Ų, Diethyl chlorocarbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl chlorocarbonimidate 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 chlorocarbonimidate?
The CAS number of Diethyl chlorocarbonimidate is 24770-45-4.
What is the molecular formula of Diethyl chlorocarbonimidate?
The molecular formula of Diethyl chlorocarbonimidate is C5H10ClNO2.
What is the molecular weight of Diethyl chlorocarbonimidate?
The molecular weight of Diethyl chlorocarbonimidate is 151.04 g/mol.
Where can I buy Diethyl chlorocarbonimidate?
You can request a quote for Diethyl chlorocarbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl chlorocarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl chlorocarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.