EINECS 261-583-7
TL;DR: EINECS 261-583-7 (CAS 59056-71-2) is a chemical compound with molecular formula C17H26O and molecular weight 246.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2,7,7-tetramethyl-5-tricyclo[6.2.1.01,6]undec-5-enyl)ethanone
Also Known As: 1- ETHAN-1-ONE, 1-(1,3,4,5,6,7-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8-yl)ethan-1-one, 1-{2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-5-yl}ethan-1-one, 1-[(1,3,4,5,6,7-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen)-8-yl]ethanone, 1-(1,1,5,5-Tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalen-8-yl)ethan-1-one
| Molecular Formula | C17H26O |
|---|---|
| Molecular Weight | 246.20 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.19836 |
| Heavy Atoms | 18 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 59056-71-2 |
|---|---|
| SMILES | CC(=O)C1=C2C(C3CCC2(C3)C(CC1)(C)C)(C)C |
| InChIKey | QXNVTDHRJFBHMW-UHFFFAOYSA-N |
Product Overview
EINECS 261-583-7 (CAS 59056-71-2), with molecular formula C17H26O and molecular weight 246.20 g/mol. IUPAC: 1-(2,2,7,7-tetramethyl-5-tricyclo[6.2.1.01,6]undec-5-enyl)ethanone.
Chemical Property Profile of EINECS 261-583-7
Property Insights of EINECS 261-583-7
The XLogP value of 4.4 indicates that EINECS 261-583-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, EINECS 261-583-7 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 261-583-7 has 0 hydrogen bond donor(s) and 1 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 EINECS 261-583-7?
The CAS number of EINECS 261-583-7 is 59056-71-2.
What is the molecular formula of EINECS 261-583-7?
The molecular formula of EINECS 261-583-7 is C17H26O.
What is the molecular weight of EINECS 261-583-7?
The molecular weight of EINECS 261-583-7 is 246.20 g/mol.
Where can I buy EINECS 261-583-7?
You can request a quote for EINECS 261-583-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 261-583-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 261-583-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.