1,6,7,8-tetrahydro-as-indacen-3(2H)-one
TL;DR: 1,6,7,8-tetrahydro-as-indacen-3(2H)-one (CAS 65012-14-8) is a chemical compound with molecular formula C12H12O and molecular weight 172.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,7,8-tetrahydro-1H-as-indacen-3-one
Also Known As: 1,6,7,8-tetrahydro-as-indacen-3(2H)-one, 2,6,7,8-tetrahydro-1H-as-indacen-3-one, 1,2,7,8-tetrahydro-asymm-indacen-3(6H)-one, as-indacen-3(2H)-one, 1,6,7,8-tetrahydro-, InChI=1/C12H12O/c13-12-7-6-10-9-3-1-2-8(9)4-5-11(10)12/h4-5H,1-3,6-7H
| Molecular Formula | C12H12O |
|---|---|
| Molecular Weight | 172.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.08882 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 65012-14-8 |
|---|---|
| SMILES | C1CC2=C(C1)C3=C(C=C2)C(=O)CC3 |
| InChIKey | PRGSEJOOVBWISD-UHFFFAOYSA-N |
Product Overview
1,6,7,8-tetrahydro-as-indacen-3(2H)-one (CAS 65012-14-8), with molecular formula C12H12O and molecular weight 172.09 g/mol. IUPAC: 2,6,7,8-tetrahydro-1H-as-indacen-3-one.
Chemical Property Profile of 1,6,7,8-tetrahydro-as-indacen-3(2H)-one
Property Insights of 1,6,7,8-tetrahydro-as-indacen-3(2H)-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6,7,8-tetrahydro-as-indacen-3(2H)-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1,6,7,8-tetrahydro-as-indacen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6,7,8-tetrahydro-as-indacen-3(2H)-one 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 1,6,7,8-tetrahydro-as-indacen-3(2H)-one?
The CAS number of 1,6,7,8-tetrahydro-as-indacen-3(2H)-one is 65012-14-8.
What is the molecular formula of 1,6,7,8-tetrahydro-as-indacen-3(2H)-one?
The molecular formula of 1,6,7,8-tetrahydro-as-indacen-3(2H)-one is C12H12O.
What is the molecular weight of 1,6,7,8-tetrahydro-as-indacen-3(2H)-one?
The molecular weight of 1,6,7,8-tetrahydro-as-indacen-3(2H)-one is 172.09 g/mol.
Where can I buy 1,6,7,8-tetrahydro-as-indacen-3(2H)-one?
You can request a quote for 1,6,7,8-tetrahydro-as-indacen-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6,7,8-tetrahydro-as-indacen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,6,7,8-tetrahydro-as-indacen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.