氰基亚环己基乙酸
TL;DR: 氰基亚环己基乙酸 (CAS 37107-50-9) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氰基亚环己基乙酸
2-cyano-2-cyclohexylideneacetic acid
Also Known As: 2-cyano-2-cyclohexylideneacetic acid, Cyclohexylidenecyanoacetic acid, Cyanocyclohexylideneacetic acid, Cyano(cyclohexylidene)acetic acid, Cyan-cyclohexyliden-essigsaeure
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 37107-50-9 |
|---|---|
| SMILES | C1CCC(=C(C#N)C(=O)O)CC1 |
| InChIKey | KMAMEGWTNNOKOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氰基亚环己基乙酸 (CAS 37107-50-9), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 2-cyano-2-cyclohexylideneacetic acid.
Chemical Property Profile of 氰基亚环己基乙酸
Property Insights of 氰基亚环己基乙酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氰基亚环己基乙酸. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 氰基亚环己基乙酸. Following Lipinski's Rule of Five, 氰基亚环己基乙酸 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 氰基亚环己基乙酸?
The CAS number of 氰基亚环己基乙酸 is 37107-50-9.
What is the molecular formula of 氰基亚环己基乙酸?
The molecular formula of 氰基亚环己基乙酸 is C9H11NO2.
What is the molecular weight of 氰基亚环己基乙酸?
The molecular weight of 氰基亚环己基乙酸 is 165.08 g/mol.
Where can I buy 氰基亚环己基乙酸?
You can request a quote for 氰基亚环己基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氰基亚环己基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 氰基亚环己基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.