Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene-
TL;DR: Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene- (CAS 113679-72-4) is a chemical compound with molecular formula C9H12 and molecular weight 120.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylidene-2,3,3a,4-tetrahydro-1H-pentalene
Also Known As: Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene-, 5-methylidene-2,3,3a,4-tetrahydro-1H-pentalene, 5-Methylene-1,2,3,3a,4,5-hexahydropentalene, 5-Methylidene-1,2,3,3a,4,5-hexahydropentalene, 5-Methylene-1,2,3,3a,4,5-hexahydropentalene #
| Molecular Formula | C9H12 |
|---|---|
| Molecular Weight | 120.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.0939 |
| Heavy Atoms | 9 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 113679-72-4 |
|---|---|
| SMILES | C=C1CC2CCCC2=C1 |
| InChIKey | YINKAIMUCNCXEA-UHFFFAOYSA-N |
Product Overview
Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene- (CAS 113679-72-4), with molecular formula C9H12 and molecular weight 120.09 g/mol. IUPAC: 5-methylidene-2,3,3a,4-tetrahydro-1H-pentalene.
Chemical Property Profile of Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene-
Property Insights of Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene-. With a topological polar surface area (TPSA) of 0.0 Ų, Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene- 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 Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene-?
The CAS number of Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene- is 113679-72-4.
What is the molecular formula of Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene-?
The molecular formula of Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene- is C9H12.
What is the molecular weight of Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene-?
The molecular weight of Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene- is 120.09 g/mol.
Where can I buy Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene-?
You can request a quote for Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene-?
Yes, KEHONG BIO provides custom synthesis services for Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.