5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro-
TL;DR: 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro- (CAS 72187-24-7) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,7aR)-7-butyl-1,2,3,6,7,7a-hexahydroinden-5-one
Also Known As: 5-Butylbicyclo(4.3.0)non-1-en-3-one, 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro-, (7S,7aR)-7-butyl-1,2,3,6,7,7a-hexahydroinden-5-one, RefChem:538283
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.4921 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 251.96118 |
Chemical Identifiers
| CAS Number | 72187-24-7 |
|---|---|
| SMILES | CCCC[C@H]1CC(=O)C=C2[C@@H]1CCC2 |
Product Overview
5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro- (CAS 72187-24-7), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: (7S,7aR)-7-butyl-1,2,3,6,7,7a-hexahydroinden-5-one.
Chemical Property Profile of 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro-
Property Insights of 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro-
The XLogP value of 3.4921 indicates that 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro- 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 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro-?
The CAS number of 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro- is 72187-24-7.
What is the molecular formula of 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro-?
The molecular formula of 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro- is C13H20O.
What is the molecular weight of 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro-?
The molecular weight of 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro- is 192.15 g/mol.
Where can I buy 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro-?
You can request a quote for 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro-?
Yes, KEHONG BIO provides custom synthesis services for 5H-Inden-5-one, 7-butyl-1,2,3,6,7,7a-hexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.