Ethene, 1,1-dichloro-2-isocyanato-
TL;DR: Ethene, 1,1-dichloro-2-isocyanato- (CAS 56020-32-7) is a chemical compound with molecular formula C3HCl2NO and molecular weight 136.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dichloro-2-isocyanatoethene
Also Known As: 2,2-Dichlorvinylisocyanat, b,b-dichlorovinyl isocyanate, 2,2-dichlorovinyl isocyanate, 1,1-dichloro-2-isocyanatoethene, Ethene, 1,1-dichloro-2-isocyanato-
| Molecular Formula | C3HCl2NO |
|---|---|
| Molecular Weight | 136.94 g/mol |
| LogP | 1.5987 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.94351 |
| Heavy Atoms | 7 |
| Complexity | 120.8966 |
Chemical Identifiers
| CAS Number | 56020-32-7 |
|---|---|
| SMILES | C(=C(Cl)Cl)N=C=O |
Product Overview
Ethene, 1,1-dichloro-2-isocyanato- (CAS 56020-32-7), with molecular formula C3HCl2NO and molecular weight 136.94 g/mol. IUPAC: 1,1-dichloro-2-isocyanatoethene.
Chemical Property Profile of Ethene, 1,1-dichloro-2-isocyanato-
Property Insights of Ethene, 1,1-dichloro-2-isocyanato-
The XLogP value of 1.5987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethene, 1,1-dichloro-2-isocyanato-. With a topological polar surface area (TPSA) of 29.43 Ų, Ethene, 1,1-dichloro-2-isocyanato- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethene, 1,1-dichloro-2-isocyanato- has 0 hydrogen bond donor(s) and 2 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 Ethene, 1,1-dichloro-2-isocyanato-?
The CAS number of Ethene, 1,1-dichloro-2-isocyanato- is 56020-32-7.
What is the molecular formula of Ethene, 1,1-dichloro-2-isocyanato-?
The molecular formula of Ethene, 1,1-dichloro-2-isocyanato- is C3HCl2NO.
What is the molecular weight of Ethene, 1,1-dichloro-2-isocyanato-?
The molecular weight of Ethene, 1,1-dichloro-2-isocyanato- is 136.94 g/mol.
Where can I buy Ethene, 1,1-dichloro-2-isocyanato-?
You can request a quote for Ethene, 1,1-dichloro-2-isocyanato- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethene, 1,1-dichloro-2-isocyanato-?
Yes, KEHONG BIO provides custom synthesis services for Ethene, 1,1-dichloro-2-isocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.