2-Methylbuta-1,3-diene;styrene
TL;DR: 2-Methylbuta-1,3-diene;styrene (CAS 80123-72-4) 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.
2-methylbuta-1,3-diene;styrene
Also Known As: isoprene styrene, isoprene-styrene, styrene isoprene, styrene-isoprene, isoprene; styrene
| Molecular Formula | C13H16 |
|---|---|
| Molecular Weight | 172.13 g/mol |
| LogP | 4.0781 |
| 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 | 119.0 |
Chemical Identifiers
| CAS Number | 80123-72-4 |
|---|---|
| SMILES | CC(=C)C=C.C=CC1=CC=CC=C1 |
| InChIKey | ROGIWVXWXZRRMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylbuta-1,3-diene;styrene (CAS 80123-72-4), with molecular formula C13H16 and molecular weight 172.13 g/mol. IUPAC: 2-methylbuta-1,3-diene;styrene.
Chemical Property Profile of 2-Methylbuta-1,3-diene;styrene
Property Insights of 2-Methylbuta-1,3-diene;styrene
The XLogP value of 4.0781 indicates that 2-Methylbuta-1,3-diene;styrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Methylbuta-1,3-diene;styrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbuta-1,3-diene;styrene 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 2-Methylbuta-1,3-diene;styrene?
The CAS number of 2-Methylbuta-1,3-diene;styrene is 80123-72-4.
What is the molecular formula of 2-Methylbuta-1,3-diene;styrene?
The molecular formula of 2-Methylbuta-1,3-diene;styrene is C13H16.
What is the molecular weight of 2-Methylbuta-1,3-diene;styrene?
The molecular weight of 2-Methylbuta-1,3-diene;styrene is 172.13 g/mol.
Where can I buy 2-Methylbuta-1,3-diene;styrene?
You can request a quote for 2-Methylbuta-1,3-diene;styrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbuta-1,3-diene;styrene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbuta-1,3-diene;styrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.