2-Methylideneadamantane
TL;DR: 2-Methylideneadamantane (CAS 875-72-9) is a chemical compound with molecular formula C=C1C2CC3CC(C2)CC1C3 and molecular weight 148.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylideneadamantane
Also Known As: 2-methylideneadamantane, 2-methyleneadamantane, methyleneadamantane, 2-methylene adamantane, 4-Methyleneadamantane
| Molecular Formula | C=C1C2CC3CC(C2)CC1C3 |
|---|---|
| Molecular Weight | 148.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 875-72-9 |
|---|---|
| SMILES | C=C1C2CC3CC(C2)CC1C3 |
| InChIKey | JTCQPLINQYIRDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylideneadamantane (CAS 875-72-9), with molecular formula C=C1C2CC3CC(C2)CC1C3 and molecular weight 148.13 g/mol. IUPAC: 2-methylideneadamantane.
Chemical Property Profile of 2-Methylideneadamantane
Property Insights of 2-Methylideneadamantane
The XLogP value of 3.3 indicates that 2-Methylideneadamantane 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-Methylideneadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylideneadamantane 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-Methylideneadamantane?
The CAS number of 2-Methylideneadamantane is 875-72-9.
What is the molecular formula of 2-Methylideneadamantane?
The molecular formula of 2-Methylideneadamantane is C=C1C2CC3CC(C2)CC1C3.
What is the molecular weight of 2-Methylideneadamantane?
The molecular weight of 2-Methylideneadamantane is 148.13 g/mol.
Where can I buy 2-Methylideneadamantane?
You can request a quote for 2-Methylideneadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylideneadamantane?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylideneadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.