Benzene, 1,2-propadienyl-
TL;DR: Benzene, 1,2-propadienyl- (CAS 2327-99-3) is a chemical compound with molecular formula C9H8 and molecular weight 116.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propa-1,2-dienylbenzene
Also Known As: Phenylallene, propadienylbenzene, Benzene, 1,2-propadienyl-, Phenylpropadiene, allenylbenzene
| Molecular Formula | C9H8 |
|---|---|
| Molecular Weight | 116.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.0626 |
| Heavy Atoms | 9 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 2327-99-3 |
|---|---|
| SMILES | C=C=CC1=CC=CC=C1 |
| InChIKey | WEHMXWJFCCNXHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,2-propadienyl- (CAS 2327-99-3), with molecular formula C9H8 and molecular weight 116.06 g/mol. IUPAC: propa-1,2-dienylbenzene.
Chemical Property Profile of Benzene, 1,2-propadienyl-
Property Insights of Benzene, 1,2-propadienyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1,2-propadienyl-. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1,2-propadienyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,2-propadienyl- has 0 hydrogen bond donor(s) and 0 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, 1,2-propadienyl-?
The CAS number of Benzene, 1,2-propadienyl- is 2327-99-3.
What is the molecular formula of Benzene, 1,2-propadienyl-?
The molecular formula of Benzene, 1,2-propadienyl- is C9H8.
What is the molecular weight of Benzene, 1,2-propadienyl-?
The molecular weight of Benzene, 1,2-propadienyl- is 116.06 g/mol.
Where can I buy Benzene, 1,2-propadienyl-?
You can request a quote for Benzene, 1,2-propadienyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,2-propadienyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,2-propadienyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.