4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene
TL;DR: 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene (CAS 55836-31-2) is a chemical compound with molecular formula C14H18 and molecular weight 186.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,8-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene
Also Known As: 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene, 1,2,3,5,6,7-Hexahydro-4,8-dimethyl-s-indacene, s-Indacene, 1,2,3,5,6,7-hexahydro-4,8-dimethyl-, 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene #, InChI=1/C14H18/c1-9-11-5-3-7-13(11)10(2)14-8-4-6-12(9)14/h3-8H2,1-2H
| Molecular Formula | C14H18 |
|---|---|
| Molecular Weight | 186.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.14085 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 55836-31-2 |
|---|---|
| SMILES | CC1=C2CCCC2=C(C3=C1CCC3)C |
| InChIKey | PYDCMJRUHDFHII-UHFFFAOYSA-N |
Product Overview
4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene (CAS 55836-31-2), with molecular formula C14H18 and molecular weight 186.14 g/mol. IUPAC: 4,8-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene.
Chemical Property Profile of 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene
Property Insights of 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene
The XLogP value of 4.3 indicates that 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene has 0 hydrogen bond donor(s) and 0 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 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene?
The CAS number of 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene is 55836-31-2.
What is the molecular formula of 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene?
The molecular formula of 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene is C14H18.
What is the molecular weight of 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene?
The molecular weight of 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene is 186.14 g/mol.
Where can I buy 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene?
You can request a quote for 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene?
Yes, KEHONG BIO provides custom synthesis services for 4,8-Dimethyl-1,2,3,5,6,7-hexahydro-S-indacene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.