Cyclorenierin A
TL;DR: Cyclorenierin A (CAS 164672-55-3) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(6-hydroxy-2-methylchromen-2-yl)ethyl]-3,5,5-trimethylcyclohex-2-en-1-one
Also Known As: Cyclorenierin A, Cyclorenierin B, 4-[2-(6-hydroxy-2-methylchromen-2-yl)ethyl]-3,5,5-trimethylcyclohex-2-en-1-one, 4-[2-(6-Hydroxy-2-methyl-2H-1-benzopyran-2-yl)ethyl]-3,5,5-trimethylcyclohex-2-en-1-one, RefChem:129963
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.1882 |
| Heavy Atoms | 24 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 164672-55-3 |
|---|---|
| SMILES | CC1=CC(=O)CC(C1CCC2(C=CC3=C(O2)C=CC(=C3)O)C)(C)C |
| InChIKey | DADPEJANNMTFEG-UHFFFAOYSA-N |
Product Overview
Cyclorenierin A (CAS 164672-55-3), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: 4-[2-(6-hydroxy-2-methylchromen-2-yl)ethyl]-3,5,5-trimethylcyclohex-2-en-1-one.
Chemical Property Profile of Cyclorenierin A
Property Insights of Cyclorenierin A
The XLogP value of 4.0 indicates that Cyclorenierin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Cyclorenierin A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclorenierin A 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 Cyclorenierin A?
The CAS number of Cyclorenierin A is 164672-55-3.
What is the molecular formula of Cyclorenierin A?
The molecular formula of Cyclorenierin A is C21H26O3.
What is the molecular weight of Cyclorenierin A?
The molecular weight of Cyclorenierin A is 326.19 g/mol.
Where can I buy Cyclorenierin A?
You can request a quote for Cyclorenierin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclorenierin A?
Yes, KEHONG BIO provides custom synthesis services for Cyclorenierin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.