![Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)- structure](/static/products/5678/56781-96-5.webp)
Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)-
TL;DR: Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)- (CAS 56781-96-5) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyladamantane-2,6-dione
Also Known As: 4-Benzyl-2,6-adamantanedione, 4-benzyladamantane-2,6-dione, 4-Benzyl-2,6-adamantanedione #, 4-(Phenylmethyl)tricyclo[3.3.1.13,7]decane-2,6-dione, Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)-
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 56781-96-5 |
|---|---|
| SMILES | C1C2CC3C(C(C2=O)CC1C3=O)CC4=CC=CC=C4 |
| InChIKey | DCHNVBZXRZXTOZ-UHFFFAOYSA-N |
Product Overview
Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)- (CAS 56781-96-5), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: 4-benzyladamantane-2,6-dione.
Chemical Property Profile of Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)-
Property Insights of Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)-. With a topological polar surface area (TPSA) of 34.1 Ų, Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)- has 0 hydrogen bond donor(s) and 2 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 Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)-?
The CAS number of Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)- is 56781-96-5.
What is the molecular formula of Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)-?
The molecular formula of Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)- is C17H18O2.
What is the molecular weight of Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)-?
The molecular weight of Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)- is 254.13 g/mol.
Where can I buy Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)-?
You can request a quote for Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.