Benzene, 1,2-butadienyl-
TL;DR: Benzene, 1,2-butadienyl- (CAS 62014-64-6) is a chemical compound with molecular formula CC=C=CC1=CC=CC=C1 and molecular weight 130.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,2-dienylbenzene
Also Known As: Benzene, 1,2-butadienyl-, 1,2-butadienylbenzene, 3-Methyl-1-phenylallene, Benzene,1,2-butadienyl-, buta-1,2-dienylbenzene
| Molecular Formula | CC=C=CC1=CC=CC=C1 |
|---|---|
| Molecular Weight | 130.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.07825 |
| Heavy Atoms | 10 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 62014-64-6 |
|---|---|
| SMILES | CC=C=CC1=CC=CC=C1 |
| InChIKey | XTKAHDQLUKRHID-UHFFFAOYSA-N |
Product Overview
Benzene, 1,2-butadienyl- (CAS 62014-64-6), with molecular formula CC=C=CC1=CC=CC=C1 and molecular weight 130.08 g/mol. IUPAC: buta-1,2-dienylbenzene.
Chemical Property Profile of Benzene, 1,2-butadienyl-
Property Insights of Benzene, 1,2-butadienyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1,2-butadienyl-. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1,2-butadienyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,2-butadienyl- 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-butadienyl-?
The CAS number of Benzene, 1,2-butadienyl- is 62014-64-6.
What is the molecular formula of Benzene, 1,2-butadienyl-?
The molecular formula of Benzene, 1,2-butadienyl- is CC=C=CC1=CC=CC=C1.
What is the molecular weight of Benzene, 1,2-butadienyl-?
The molecular weight of Benzene, 1,2-butadienyl- is 130.08 g/mol.
Where can I buy Benzene, 1,2-butadienyl-?
You can request a quote for Benzene, 1,2-butadienyl- 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-butadienyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,2-butadienyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.