Β-玉米赤霉醇
TL;DR: Β-玉米赤霉醇 (CAS 42422-68-4) is a chemical compound with molecular formula C18H26O5 and molecular weight 322.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Β-玉米赤霉醇
(4S,8S)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
Also Known As: beta-Zearalanol, Taleranol, Taleranolum, beta zearalanol, A-Zearanol
| Molecular Formula | C18H26O5 |
|---|---|
| Molecular Weight | 322.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 322.178 |
| Heavy Atoms | 23 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 42422-68-4 |
|---|---|
| SMILES | C[C@H]1CCC[C@H](CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)O |
| InChIKey | DWTTZBARDOXEAM-JSGCOSHPSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Β-玉米赤霉醇 (CAS 42422-68-4), with molecular formula C18H26O5 and molecular weight 322.18 g/mol. IUPAC: (4S,8S)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one.
Chemical Property Profile of Β-玉米赤霉醇
Property Insights of Β-玉米赤霉醇
The XLogP value of 4.3 indicates that Β-玉米赤霉醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Β-玉米赤霉醇. Following Lipinski's Rule of Five, Β-玉米赤霉醇 has 3 hydrogen bond donor(s) and 5 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 Β-玉米赤霉醇?
The CAS number of Β-玉米赤霉醇 is 42422-68-4.
What is the molecular formula of Β-玉米赤霉醇?
The molecular formula of Β-玉米赤霉醇 is C18H26O5.
What is the molecular weight of Β-玉米赤霉醇?
The molecular weight of Β-玉米赤霉醇 is 322.18 g/mol.
Where can I buy Β-玉米赤霉醇?
You can request a quote for Β-玉米赤霉醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Β-玉米赤霉醇?
Yes, KEHONG BIO provides custom synthesis services for Β-玉米赤霉醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.