![1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene structure](/static/products/5670/56701-42-9.webp)
1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene
TL;DR: 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene (CAS 56701-42-9) 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.
1-methyl-3-(2-propan-2-ylidenecyclopropyl)benzene
Also Known As: 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene, Benzene, 1-methyl-3-[(1-methylethylidene)cyclopropyl]-, 1-methyl-3-(2-propan-2-ylidenecyclopropyl)benzene, 1-methyl-3-[2-(propan-2-ylidene)cyclopropyl]benzene, 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene #
| Molecular Formula | C13H16 |
|---|---|
| Molecular Weight | 172.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.1252 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 56701-42-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2CC2=C(C)C |
| InChIKey | CAFLEGYVELRRKU-UHFFFAOYSA-N |
Product Overview
1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene (CAS 56701-42-9), with molecular formula C13H16 and molecular weight 172.13 g/mol. IUPAC: 1-methyl-3-(2-propan-2-ylidenecyclopropyl)benzene.
Chemical Property Profile of 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene
Property Insights of 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene
The XLogP value of 3.7 indicates that 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene 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 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene?
The CAS number of 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene is 56701-42-9.
What is the molecular formula of 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene?
The molecular formula of 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene is C13H16.
What is the molecular weight of 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene?
The molecular weight of 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene is 172.13 g/mol.
Where can I buy 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene?
You can request a quote for 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-[2-(1-methylethylidene)cyclopropyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.