(2-羟甲基环己基)乙酸内酯
TL;DR: (2-羟甲基环己基)乙酸内酯 (CAS 21962-62-9) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-羟甲基环己基)乙酸内酯
1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
Also Known As: Octahydrobenzopyran-3-one, aceticacidlactone, octahydro-isochromen-3-one, Octahydro-3H-isochromen-3-one, 3H-2-Benzopyran-3-one, octahydro-
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 21962-62-9 |
|---|---|
| SMILES | C1CCC2COC(=O)CC2C1 |
| InChIKey | AYMWCZFEDLLHMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-羟甲基环己基)乙酸内酯 (CAS 21962-62-9), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one.
Chemical Property Profile of (2-羟甲基环己基)乙酸内酯
Property Insights of (2-羟甲基环己基)乙酸内酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-羟甲基环己基)乙酸内酯. With a topological polar surface area (TPSA) of 26.3 Ų, (2-羟甲基环己基)乙酸内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-羟甲基环己基)乙酸内酯 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-羟甲基环己基)乙酸内酯?
The CAS number of (2-羟甲基环己基)乙酸内酯 is 21962-62-9.
What is the molecular formula of (2-羟甲基环己基)乙酸内酯?
The molecular formula of (2-羟甲基环己基)乙酸内酯 is C9H14O2.
What is the molecular weight of (2-羟甲基环己基)乙酸内酯?
The molecular weight of (2-羟甲基环己基)乙酸内酯 is 154.10 g/mol.
Where can I buy (2-羟甲基环己基)乙酸内酯?
You can request a quote for (2-羟甲基环己基)乙酸内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-羟甲基环己基)乙酸内酯?
Yes, KEHONG BIO provides custom synthesis services for (2-羟甲基环己基)乙酸内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.