Hexacyprone
TL;DR: Hexacyprone (CAS 892-01-3) is a chemical compound with molecular formula C16H20O3 and molecular weight 260.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzyl-2-oxocyclohexyl)propanoic acid
Also Known As: Hexacyprone, Hexaciprono, Hexacypronum, Esaciprone, hexaciprona
| Molecular Formula | C16H20O3 |
|---|---|
| Molecular Weight | 260.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.14124 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 892-01-3 |
|---|---|
| SMILES | C1CCC(C(=O)C1)(CCC(=O)O)CC2=CC=CC=C2 |
| InChIKey | QQWBGHWKTDIMCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexacyprone (CAS 892-01-3), with molecular formula C16H20O3 and molecular weight 260.14 g/mol. IUPAC: 3-(1-benzyl-2-oxocyclohexyl)propanoic acid.
Chemical Property Profile of Hexacyprone
Property Insights of Hexacyprone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexacyprone. With a topological polar surface area (TPSA) of 54.4 Ų, Hexacyprone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexacyprone 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 Hexacyprone?
The CAS number of Hexacyprone is 892-01-3.
What is the molecular formula of Hexacyprone?
The molecular formula of Hexacyprone is C16H20O3.
What is the molecular weight of Hexacyprone?
The molecular weight of Hexacyprone is 260.14 g/mol.
Where can I buy Hexacyprone?
You can request a quote for Hexacyprone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexacyprone?
Yes, KEHONG BIO provides custom synthesis services for Hexacyprone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.