3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate
TL;DR: 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate (CAS 1637564-95-4) 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.
3-tricyclo[5.2.1.02,6]dec-4-enyl propanoate
Also Known As: Verdyl propionate, Tricyclodecenyl propionate, Dicyclopentadiene propionate, EINECS 272-805-7, 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 2.5403 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 307.6578 |
Chemical Identifiers
| CAS Number | 1637564-95-4 |
|---|---|
| SMILES | CCC(=O)OC1C=CC2C1C3CCC2C3 |
Product Overview
3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate (CAS 1637564-95-4), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 3-tricyclo[5.2.1.02,6]dec-4-enyl propanoate.
Chemical Property Profile of 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate
Property Insights of 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate
The XLogP value of 2.5403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate. With a topological polar surface area (TPSA) of 26.3 Ų, 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate 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 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate?
The CAS number of 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate is 1637564-95-4.
What is the molecular formula of 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate?
The molecular formula of 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate is C13H18O2.
What is the molecular weight of 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate?
The molecular weight of 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate is 206.13 g/mol.
Where can I buy 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate?
You can request a quote for 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate?
Yes, KEHONG BIO provides custom synthesis services for 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.