EINECS 261-860-2
TL;DR: EINECS 261-860-2 (CAS 59691-22-4) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,6S,7S,8R)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde
Also Known As: 4,7-Methano-1H-indene-6-carboxaldehyde, 3a,4,5,6,7,7a-hexahydro-, (3aR,4R,6S,7R,7aR)-rel-, -3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene-6-carboxaldehyde, (1S,2S,6S,7S,8R)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde, (3aalpha,4alpha,6alpha,7alpha,7aalpha)-3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indene-6-carboxaldehyde, 4,7-Methano-1H-indene-6-carboxaldehyde, 3a,4,5,6,7,7a-hexahydro-, (3aalpha,4alpha,6alpha,7alpha,7aalpha)-
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 59691-22-4 |
|---|---|
| SMILES | C1C=C[C@H]2[C@@H]1[C@@H]3C[C@H]2C[C@H]3C=O |
| InChIKey | URKXHWZQKOOULP-RCZSTQMZSA-N |
Product Overview
EINECS 261-860-2 (CAS 59691-22-4), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: (1S,2S,6S,7S,8R)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde.
Chemical Property Profile of EINECS 261-860-2
Property Insights of EINECS 261-860-2
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 261-860-2. With a topological polar surface area (TPSA) of 17.1 Ų, EINECS 261-860-2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 261-860-2 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 261-860-2?
The CAS number of EINECS 261-860-2 is 59691-22-4.
What is the molecular formula of EINECS 261-860-2?
The molecular formula of EINECS 261-860-2 is C11H14O.
What is the molecular weight of EINECS 261-860-2?
The molecular weight of EINECS 261-860-2 is 162.10 g/mol.
Where can I buy EINECS 261-860-2?
You can request a quote for EINECS 261-860-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 261-860-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 261-860-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.