Hemigossypolone
TL;DR: Hemigossypolone (CAS 35688-47-2) is a chemical compound with molecular formula C15H14O5 and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde
Also Known As: Hemigossypolone, p-hemigossypolone, Para-Hemigossypolone, NCI60_017780, 2,3-dihydroxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde
| Molecular Formula | C15H14O5 |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.08414 |
| Heavy Atoms | 20 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 35688-47-2 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(C(=C(C(=C2C1=O)C(C)C)O)O)C=O |
| InChIKey | CERPPXZGSNEVMI-UHFFFAOYSA-N |
Product Overview
Hemigossypolone (CAS 35688-47-2), with molecular formula C15H14O5 and molecular weight 274.08 g/mol. IUPAC: 2,3-dihydroxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde.
Chemical Property Profile of Hemigossypolone
Property Insights of Hemigossypolone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hemigossypolone. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Hemigossypolone. Following Lipinski's Rule of Five, Hemigossypolone has 2 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 Hemigossypolone?
The CAS number of Hemigossypolone is 35688-47-2.
What is the molecular formula of Hemigossypolone?
The molecular formula of Hemigossypolone is C15H14O5.
What is the molecular weight of Hemigossypolone?
The molecular weight of Hemigossypolone is 274.08 g/mol.
Where can I buy Hemigossypolone?
You can request a quote for Hemigossypolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hemigossypolone?
Yes, KEHONG BIO provides custom synthesis services for Hemigossypolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.