Isoprene butadiene
TL;DR: Isoprene butadiene (CAS 25102-52-7) is a chemical compound with molecular formula C9H14 and molecular weight 122.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,3-diene;2-methylbuta-1,3-diene
Also Known As: isoprene butadiene, butadiene isoprene, buta-1,3-diene; isoprene, PDI 0, buta-1,3-diene;2-methylbuta-1,3-diene
| Molecular Formula | C9H14 |
|---|---|
| Molecular Weight | 122.11 g/mol |
| LogP | 3.1069 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.10955 |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 25102-52-7 |
|---|---|
| SMILES | CC(=C)C=C.C=CC=C |
| InChIKey | VLLYOYVKQDKAHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoprene butadiene (CAS 25102-52-7), with molecular formula C9H14 and molecular weight 122.11 g/mol. IUPAC: buta-1,3-diene;2-methylbuta-1,3-diene.
Chemical Property Profile of Isoprene butadiene
Property Insights of Isoprene butadiene
The XLogP value of 3.1069 indicates that Isoprene butadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Isoprene butadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoprene butadiene 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 Isoprene butadiene?
The CAS number of Isoprene butadiene is 25102-52-7.
What is the molecular formula of Isoprene butadiene?
The molecular formula of Isoprene butadiene is C9H14.
What is the molecular weight of Isoprene butadiene?
The molecular weight of Isoprene butadiene is 122.11 g/mol.
Where can I buy Isoprene butadiene?
You can request a quote for Isoprene butadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoprene butadiene?
Yes, KEHONG BIO provides custom synthesis services for Isoprene butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.