Diallylcarbamyl chloride
TL;DR: Diallylcarbamyl chloride (CAS 25761-72-2) is a chemical compound with molecular formula C7H10ClNO and molecular weight 159.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(prop-2-enyl)carbamoyl chloride
Also Known As: Diallylcarbamyl chloride, diallylcarbamic chloride, diallylcarbamicchloride, diallylcarbamoyl chloride, n,n-diallylcarbamoyl chloride
| Molecular Formula | C7H10ClNO |
|---|---|
| Molecular Weight | 159.05 g/mol |
| LogP | 2.0192 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 159.04509 |
| Heavy Atoms | 10 |
| Complexity | 134.54153 |
Chemical Identifiers
| CAS Number | 25761-72-2 |
|---|---|
| SMILES | C=CCN(CC=C)C(=O)Cl |
Product Overview
Diallylcarbamyl chloride (CAS 25761-72-2), with molecular formula C7H10ClNO and molecular weight 159.05 g/mol. IUPAC: N,N-bis(prop-2-enyl)carbamoyl chloride.
Chemical Property Profile of Diallylcarbamyl chloride
Property Insights of Diallylcarbamyl chloride
The XLogP value of 2.0192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallylcarbamyl chloride. With a topological polar surface area (TPSA) of 20.31 Ų, Diallylcarbamyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallylcarbamyl chloride has 0 hydrogen bond donor(s) and 1 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 Diallylcarbamyl chloride?
The CAS number of Diallylcarbamyl chloride is 25761-72-2.
What is the molecular formula of Diallylcarbamyl chloride?
The molecular formula of Diallylcarbamyl chloride is C7H10ClNO.
What is the molecular weight of Diallylcarbamyl chloride?
The molecular weight of Diallylcarbamyl chloride is 159.05 g/mol.
Where can I buy Diallylcarbamyl chloride?
You can request a quote for Diallylcarbamyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallylcarbamyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Diallylcarbamyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.