Siglure
TL;DR: Siglure (CAS 88412-09-3) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 6-methylcyclohex-3-ene-1-carboxylate
Also Known As: Siglure, butan-2-yl 6-methylcyclohex-3-ene-1-carboxylate, sec-butyl-6-methylcyclohex-3-en-1-carboxylat, butan-2-yl6-methylcyclohex-3-ene-1-carboxylate, 6-Methyl-3-cyclohexene-1-carboxylic acid 1-methylpropyl ester
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 88412-09-3 |
|---|---|
| SMILES | CCC(C)OC(=O)C1CC=CCC1C |
| InChIKey | AJKDXAOKNSFWAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Siglure (CAS 88412-09-3), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: butan-2-yl 6-methylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Siglure
Property Insights of Siglure
The XLogP value of 3.4 indicates that Siglure is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Siglure exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Siglure 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 Siglure?
The CAS number of Siglure is 88412-09-3.
What is the molecular formula of Siglure?
The molecular formula of Siglure is C12H20O2.
What is the molecular weight of Siglure?
The molecular weight of Siglure is 196.15 g/mol.
Where can I buy Siglure?
You can request a quote for Siglure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Siglure?
Yes, KEHONG BIO provides custom synthesis services for Siglure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.