1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate
TL;DR: 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate (CAS 67990-29-8) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-tricyclo[4.2.2.01,5]dec-3-enyl propanoate
Also Known As: tricyclo[4.2.2.01,5]dec-3-en-8-yl propionate, 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, propanoate, 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate, 2,3,4,6a-Tetrahydro-1H-1,3a-ethanopentalen-3-yl propionate, tricyclo[4.2.2.01,5]dec-3-en-8-yl propanoate
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 67990-29-8 |
|---|---|
| SMILES | CCC(=O)OC1CC2CCC13C2C=CC3 |
| InChIKey | GNSJBXUKHHNIFD-UHFFFAOYSA-N |
Product Overview
1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate (CAS 67990-29-8), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 8-tricyclo[4.2.2.01,5]dec-3-enyl propanoate.
Chemical Property Profile of 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate
Property Insights of 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate 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 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate?
The CAS number of 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate is 67990-29-8.
What is the molecular formula of 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate?
The molecular formula of 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate is C13H18O2.
What is the molecular weight of 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate?
The molecular weight of 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate is 206.13 g/mol.
Where can I buy 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate?
You can request a quote for 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,3a-Ethanopentalen-3-ol, 2,3,4,6a-tetrahydro-, 3-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.