棉酚
TL;DR: 棉酚 (CAS 303-45-7) is a chemical compound with molecular formula C30H30O8 and molecular weight 518.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
棉酚
7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
Also Known As: gossypol, Pogosin, (-)-Gossypol, Tash 1, (+)-Gossypol
| Molecular Formula | C30H30O8 |
|---|---|
| Molecular Weight | 518.19 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.1941 |
| Heavy Atoms | 38 |
| Complexity | 780.0 |
| Melting Point | 184 °C (from ether); 199 °C (from chloroform); 214 °C (from ligroin) |
| Solubility | Very soluble in methanol, ethanol, cold dioxane, diethylene glucol, ether, ethyl acetate, acetone, carbon tetrachloride, pyridine, chloroform, DMF, lipds. Freely soluble (with slow desomposition) in dilute aqueous solutions of ammonia and sodium carbonate. Slightly soluble in glycerol, cyclohexane. Insoluble in water. |
Chemical Identifiers
| CAS Number | 303-45-7 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O |
| InChIKey | QBKSWRVVCFFDOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
棉酚 (CAS 303-45-7), with molecular formula C30H30O8 and molecular weight 518.19 g/mol. IUPAC: 7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde.
Chemical Property Profile of 棉酚
Property Insights of 棉酚
The XLogP value of 6.9 indicates that 棉酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting 棉酚 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 棉酚 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 棉酚?
The CAS number of 棉酚 is 303-45-7.
What is the molecular formula of 棉酚?
The molecular formula of 棉酚 is C30H30O8.
What is the molecular weight of 棉酚?
The molecular weight of 棉酚 is 518.19 g/mol.
Where can I buy 棉酚?
You can request a quote for 棉酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 棉酚?
Yes, KEHONG BIO provides custom synthesis services for 棉酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.