Benzene, (1-isocyanato-2-propenyl)-
TL;DR: Benzene, (1-isocyanato-2-propenyl)- (CAS 55887-59-7) is a chemical compound with molecular formula C10H9NO and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanatoprop-2-enylbenzene
Also Known As: 1-Phenylallyl isocyanate, (1-isocyanatoallyl)benzene, (1-Isocyanato-2-propenyl)benzene, 1-isocyanatoprop-2-enylbenzene, 1-Phenyl-2-propenyl isocyanate
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 55887-59-7 |
|---|---|
| SMILES | C=CC(C1=CC=CC=C1)N=C=O |
| InChIKey | GNEPBTGCKNEPNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (1-isocyanato-2-propenyl)- (CAS 55887-59-7), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 1-isocyanatoprop-2-enylbenzene.
Chemical Property Profile of Benzene, (1-isocyanato-2-propenyl)-
Property Insights of Benzene, (1-isocyanato-2-propenyl)-
The XLogP value of 3.5 indicates that Benzene, (1-isocyanato-2-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, Benzene, (1-isocyanato-2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1-isocyanato-2-propenyl)- 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 Benzene, (1-isocyanato-2-propenyl)-?
The CAS number of Benzene, (1-isocyanato-2-propenyl)- is 55887-59-7.
What is the molecular formula of Benzene, (1-isocyanato-2-propenyl)-?
The molecular formula of Benzene, (1-isocyanato-2-propenyl)- is C10H9NO.
What is the molecular weight of Benzene, (1-isocyanato-2-propenyl)-?
The molecular weight of Benzene, (1-isocyanato-2-propenyl)- is 159.07 g/mol.
Where can I buy Benzene, (1-isocyanato-2-propenyl)-?
You can request a quote for Benzene, (1-isocyanato-2-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1-isocyanato-2-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1-isocyanato-2-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.