道益酸
TL;DR: 道益酸 (CAS 482-49-5) is a chemical compound with molecular formula C18H24O3 and molecular weight 288.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
道益酸
1-ethyl-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid
Also Known As: Doisynolic acid, doisynolicacid, Acido doisynolico, trans-Doisynolic acid, Acido doisynolico [Spanish]
| Molecular Formula | C18H24O3 |
|---|---|
| Molecular Weight | 288.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.17255 |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 482-49-5 |
|---|---|
| SMILES | CCC1C2CCC3=C(C2CCC1(C)C(=O)O)C=CC(=C3)O |
| InChIKey | GEGYYIFBFKSCPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
道益酸 (CAS 482-49-5), with molecular formula C18H24O3 and molecular weight 288.17 g/mol. IUPAC: 1-ethyl-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid.
Chemical Property Profile of 道益酸
Property Insights of 道益酸
The XLogP value of 4.4 indicates that 道益酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 道益酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 道益酸 has 2 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 道益酸?
The CAS number of 道益酸 is 482-49-5.
What is the molecular formula of 道益酸?
The molecular formula of 道益酸 is C18H24O3.
What is the molecular weight of 道益酸?
The molecular weight of 道益酸 is 288.17 g/mol.
Where can I buy 道益酸?
You can request a quote for 道益酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 道益酸?
Yes, KEHONG BIO provides custom synthesis services for 道益酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.