3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene
TL;DR: 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene (CAS 2279-18-7) is a chemical compound with molecular formula C13H18O and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-prop-2-enoxytricyclo[5.2.1.02,6]dec-3-ene
Also Known As: 9-(allyloxy)tricyclo[5.2.1.02,6]dec-3-ene, EC 430-830-2, 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-5-(2-propenyloxy)-, Hexahydro-4,7-methanoinden-5(or 6)-propenyl ether, 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-5(or 6)(2-propen-1-yloxy)-
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 2279-18-7 |
|---|---|
| SMILES | C=CCOC1CC2CC1C3C2CC=C3 |
| InChIKey | QFRXRJATKANZGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene (CAS 2279-18-7), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: 9-prop-2-enoxytricyclo[5.2.1.02,6]dec-3-ene.
Chemical Property Profile of 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene
Property Insights of 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene. With a topological polar surface area (TPSA) of 9.2 Ų, 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene 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 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene?
The CAS number of 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene is 2279-18-7.
What is the molecular formula of 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene?
The molecular formula of 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene is C13H18O.
What is the molecular weight of 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene?
The molecular weight of 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene is 190.14 g/mol.
Where can I buy 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene?
You can request a quote for 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene 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-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene?
Yes, KEHONG BIO provides custom synthesis services for 3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.