1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile
TL;DR: 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile (CAS 68511-52-4) is a chemical compound with molecular formula C18H21N and molecular weight 251.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile
Also Known As: (C10-H10.C5-H8.C3-H3-N)x-, 2-Propenenitrile, 2-methyl-1,3-butadiene, diethenylbenzene polymer,hydrolyzed, 1,2-bis(ethenyl)benzene; 2-methylbuta-1,3-diene; prop-2-enenitrile, 2-Propenenitrile, polymer with diethenylbenzene and 2-methyl-1,3-butadiene, hydrolyzed, 2-Propenenitrile, 2-methyl-1,3-butadiene, diethenylbenzene polymer, hydrolyzed
| Molecular Formula | C18H21N |
|---|---|
| Molecular Weight | 251.17 g/mol |
| LogP | 5.41708 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.1674 |
| Heavy Atoms | 19 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 68511-52-4 |
|---|---|
| SMILES | CC(=C)C=C.C=CC#N.C=CC1=CC=CC=C1C=C |
| InChIKey | LJONQCZWSATBMW-UHFFFAOYSA-N |
Product Overview
1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile (CAS 68511-52-4), with molecular formula C18H21N and molecular weight 251.17 g/mol. IUPAC: 1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile.
Chemical Property Profile of 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile
Property Insights of 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile
The XLogP value of 5.41708 indicates that 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile?
The CAS number of 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile is 68511-52-4.
What is the molecular formula of 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile?
The molecular formula of 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile is C18H21N.
What is the molecular weight of 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile?
The molecular weight of 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile is 251.17 g/mol.
Where can I buy 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile?
You can request a quote for 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(ethenyl)benzene;2-methylbuta-1,3-diene;prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.