Hemigossypol
TL;DR: Hemigossypol (CAS 40817-07-0) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
Also Known As: Hemigossypol, Isohemigossypol, 2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde, 2,3,8-Trihydroxy-6-methyl-4-(1-methylethyl)-1-naphthalenecarboxaldehyde, 2,3,8-Trihydroxy-4-isopropyl-6-methyl-1-naphthaldehyde
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 40817-07-0 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=C(C(=C2C(C)C)O)O)C=O |
| InChIKey | WWHRTLINNBKCGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hemigossypol (CAS 40817-07-0), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: 2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde.
Chemical Property Profile of Hemigossypol
Property Insights of Hemigossypol
The XLogP value of 3.6 indicates that Hemigossypol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hemigossypol. Following Lipinski's Rule of Five, Hemigossypol has 3 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 Hemigossypol?
The CAS number of Hemigossypol is 40817-07-0.
What is the molecular formula of Hemigossypol?
The molecular formula of Hemigossypol is C15H16O4.
What is the molecular weight of Hemigossypol?
The molecular weight of Hemigossypol is 260.10 g/mol.
Where can I buy Hemigossypol?
You can request a quote for Hemigossypol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hemigossypol?
Yes, KEHONG BIO provides custom synthesis services for Hemigossypol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.