Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1)
TL;DR: Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1) (CAS 9053-43-4) 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.
buta-1,3-diene;1-ethenyl-2-methylbenzene
Also Known As: Vinyltoluene, butadiene polymer, (C9-H10.C4-H6)x-, BUTADIENE-VINYLTOLUENE COPOLYMER, Benzene, ethenylmethyl-, polymer with 1,3-butadiene, buta-1,3-diene; 1-methyl-2-vinyl-benzene
| Molecular Formula | C13H16 |
|---|---|
| Molecular Weight | 172.13 g/mol |
| LogP | 3.99642 |
| 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 | 115.0 |
Chemical Identifiers
| CAS Number | 9053-43-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C=C.C=CC=C |
| InChIKey | CRTVERUZDDIKGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1) (CAS 9053-43-4), with molecular formula C13H16 and molecular weight 172.13 g/mol. IUPAC: buta-1,3-diene;1-ethenyl-2-methylbenzene.
Chemical Property Profile of Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1)
Property Insights of Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1)
The XLogP value of 3.99642 indicates that Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1) 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 Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1)?
The CAS number of Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1) is 9053-43-4.
What is the molecular formula of Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1)?
The molecular formula of Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1) is C13H16.
What is the molecular weight of Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1)?
The molecular weight of Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1) is 172.13 g/mol.
Where can I buy Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1)?
You can request a quote for Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Buta-1,3-diene--1-ethenyl-2-methylbenzene (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.