Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl-
TL;DR: Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl- (CAS 5732-00-3) is a chemical compound with molecular formula C13H16 and molecular weight 172.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-buta-1,3-dienyl-1,3,5-trimethylbenzene
Also Known As: Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl-, 2-buta-1,3-dienyl-1,3,5-trimethylbenzene, 1,3,5-trimethyl-2-(1,3-butadienyl)benzene, Benzene,2-(1,3-butadienyl)-1,3,5-trimethyl-
| Molecular Formula | C13H16 |
|---|---|
| Molecular Weight | 172.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.1252 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 5732-00-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C=CC=C)C |
| InChIKey | YOPHSFAXJIMOIN-UHFFFAOYSA-N |
Product Overview
Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl- (CAS 5732-00-3), with molecular formula C13H16 and molecular weight 172.13 g/mol. IUPAC: 2-buta-1,3-dienyl-1,3,5-trimethylbenzene.
Chemical Property Profile of Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl-
Property Insights of Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl-
The XLogP value of 4.4 indicates that Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl- 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, 2-(1,3-butadienyl)-1,3,5-trimethyl-?
The CAS number of Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl- is 5732-00-3.
What is the molecular formula of Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl-?
The molecular formula of Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl- is C13H16.
What is the molecular weight of Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl-?
The molecular weight of Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl- is 172.13 g/mol.
Where can I buy Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl-?
You can request a quote for Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.