1,2,3,5,6,7-Hexahydro-s-indacene
TL;DR: 1,2,3,5,6,7-Hexahydro-s-indacene (CAS 70237-14-8) is a chemical compound with molecular formula C12H14 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,5,6,7-hexahydro-s-indacene
Also Known As: 1,2,3,5,6,7-hexahydro-s-indacene, s-hydrindacene, Hydrindacene, Benzo[1,2:4,5]dicyclopentene, s-Indacene, 1,2,3,5,6,7-hexahydro-
| Molecular Formula | C12H14 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.10954 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 70237-14-8 |
|---|---|
| SMILES | C1CC2=CC3=C(CCC3)C=C2C1 |
| InChIKey | ZVGHRKGPUUKBPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,5,6,7-Hexahydro-s-indacene (CAS 70237-14-8), with molecular formula C12H14 and molecular weight 158.11 g/mol. IUPAC: 1,2,3,5,6,7-hexahydro-s-indacene.
Chemical Property Profile of 1,2,3,5,6,7-Hexahydro-s-indacene
Property Insights of 1,2,3,5,6,7-Hexahydro-s-indacene
The XLogP value of 3.6 indicates that 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, 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, 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 1,2,3,5,6,7-Hexahydro-s-indacene?
The CAS number of 1,2,3,5,6,7-Hexahydro-s-indacene is 70237-14-8.
What is the molecular formula of 1,2,3,5,6,7-Hexahydro-s-indacene?
The molecular formula of 1,2,3,5,6,7-Hexahydro-s-indacene is C12H14.
What is the molecular weight of 1,2,3,5,6,7-Hexahydro-s-indacene?
The molecular weight of 1,2,3,5,6,7-Hexahydro-s-indacene is 158.11 g/mol.
Where can I buy 1,2,3,5,6,7-Hexahydro-s-indacene?
You can request a quote for 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 1,2,3,5,6,7-Hexahydro-s-indacene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,5,6,7-Hexahydro-s-indacene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.