3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate
TL;DR: 3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate (CAS 6961-54-2) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-tricyclo[5.2.1.02,6]dec-3-enyl 2-acetyloxypropanoate
Also Known As: 3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate, 3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl 2-acetoxypropanoate, Propanoic acid, 2-(acetyloxy)-,3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl ester
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 6961-54-2 |
|---|---|
| SMILES | CC(C(=O)OC1CC2CC1C3C2C=CC3)OC(=O)C |
| InChIKey | HBHGHRLFNHRHAF-UHFFFAOYSA-N |
Product Overview
3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate (CAS 6961-54-2), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: 8-tricyclo[5.2.1.02,6]dec-3-enyl 2-acetyloxypropanoate.
Chemical Property Profile of 3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate
Property Insights of 3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate. With a topological polar surface area (TPSA) of 52.6 Ų, 3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate has 0 hydrogen bond donor(s) and 4 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-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate?
The CAS number of 3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate is 6961-54-2.
What is the molecular formula of 3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate?
The molecular formula of 3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate is C15H20O4.
What is the molecular weight of 3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate?
The molecular weight of 3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate is 264.14 g/mol.
Where can I buy 3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate?
You can request a quote for 3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate 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-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3a,4,5,6,7,7a-Hexahydro-1h-4,7-methanoinden-6-yl 2-(acetyloxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.