α-氧代环己烷乙酸
TL;DR: α-氧代环己烷乙酸 (CAS 4354-49-8) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-氧代环己烷乙酸
2-cyclohexyl-2-oxoacetic acid
Also Known As: 2-cyclohexyl-2-oxoacetic acid, alpha-Oxocyclohexaneacetic acid, cyclohexyl(oxo)acetic acid, cyclohexylglyoxylsaeure, cyclohexylglyoxylic acid
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 4354-49-8 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)C(=O)O |
| InChIKey | IMCSZGFLUYCDOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-氧代环己烷乙酸 (CAS 4354-49-8), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: 2-cyclohexyl-2-oxoacetic acid.
Chemical Property Profile of α-氧代环己烷乙酸
Property Insights of α-氧代环己烷乙酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-氧代环己烷乙酸. With a topological polar surface area (TPSA) of 54.4 Ų, α-氧代环己烷乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-氧代环己烷乙酸 has 1 hydrogen bond donor(s) and 3 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 α-氧代环己烷乙酸?
The CAS number of α-氧代环己烷乙酸 is 4354-49-8.
What is the molecular formula of α-氧代环己烷乙酸?
The molecular formula of α-氧代环己烷乙酸 is C8H12O3.
What is the molecular weight of α-氧代环己烷乙酸?
The molecular weight of α-氧代环己烷乙酸 is 156.08 g/mol.
Where can I buy α-氧代环己烷乙酸?
You can request a quote for α-氧代环己烷乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-氧代环己烷乙酸?
Yes, KEHONG BIO provides custom synthesis services for α-氧代环己烷乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.