鼠尾草酚
TL;DR: 鼠尾草酚 (CAS 5957-80-2) is a chemical compound with molecular formula C20H26O4 and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
鼠尾草酚
3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Also Known As: carnosol, Picrosalvin, Carnosol [M+H]+, MEGxp0_001119, SMP2_000248
| Molecular Formula | C20H26O4 |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.1831 |
| Heavy Atoms | 24 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 5957-80-2 |
|---|---|
| SMILES | CC(C)C1=C(C(=C2C(=C1)C3CC4C2(CCCC4(C)C)C(=O)O3)O)O |
| InChIKey | XUSYGBPHQBWGAD-UHFFFAOYSA-N |
Product Overview
鼠尾草酚 (CAS 5957-80-2), with molecular formula C20H26O4 and molecular weight 330.18 g/mol. IUPAC: 3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one.
Chemical Property Profile of 鼠尾草酚
Property Insights of 鼠尾草酚
The XLogP value of 4.4 indicates that 鼠尾草酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 鼠尾草酚. Following Lipinski's Rule of Five, 鼠尾草酚 has 2 hydrogen bond donor(s) and 4 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 鼠尾草酚?
The CAS number of 鼠尾草酚 is 5957-80-2.
What is the molecular formula of 鼠尾草酚?
The molecular formula of 鼠尾草酚 is C20H26O4.
What is the molecular weight of 鼠尾草酚?
The molecular weight of 鼠尾草酚 is 330.18 g/mol.
Where can I buy 鼠尾草酚?
You can request a quote for 鼠尾草酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 鼠尾草酚?
Yes, KEHONG BIO provides custom synthesis services for 鼠尾草酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.