2(3H)-Benzofuranone, hexahydro-
TL;DR: 2(3H)-Benzofuranone, hexahydro- (CAS 6051-03-2) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
Also Known As: 2(3H)-Benzofuranone, hexahydro-, hexahydrobenzofuranone, Hexahydro-3H-benzofuran-2-one, Octahydrobenzofuran-2-one, Hexahydro-benzofuran-2-one
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 6051-03-2 |
|---|---|
| SMILES | C1CCC2C(C1)CC(=O)O2 |
| InChIKey | AQKZNTBBGPQPBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(3H)-Benzofuranone, hexahydro- (CAS 6051-03-2), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: 3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one.
Chemical Property Profile of 2(3H)-Benzofuranone, hexahydro-
Property Insights of 2(3H)-Benzofuranone, hexahydro-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzofuranone, hexahydro-. With a topological polar surface area (TPSA) of 26.3 Ų, 2(3H)-Benzofuranone, hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzofuranone, hexahydro- has 0 hydrogen bond donor(s) and 2 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 2(3H)-Benzofuranone, hexahydro-?
The CAS number of 2(3H)-Benzofuranone, hexahydro- is 6051-03-2.
What is the molecular formula of 2(3H)-Benzofuranone, hexahydro-?
The molecular formula of 2(3H)-Benzofuranone, hexahydro- is C8H12O2.
What is the molecular weight of 2(3H)-Benzofuranone, hexahydro-?
The molecular weight of 2(3H)-Benzofuranone, hexahydro- is 140.08 g/mol.
Where can I buy 2(3H)-Benzofuranone, hexahydro-?
You can request a quote for 2(3H)-Benzofuranone, hexahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzofuranone, hexahydro-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzofuranone, hexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.