Carbethoxy propionyldithranol
TL;DR: Carbethoxy propionyldithranol (CAS 116549-34-9) is a chemical compound with molecular formula C20H18O6 and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxobutanoate
Also Known As: Carbethoxy propionyldithranol, beta-Carbethoxypropionyldithranol, NCI60_011091, ethyl 4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxobutanoate, Ethyl 4-(4,5-dihydroxy-10-oxo-9,10-dihydro-9-anthracenyl)-4-oxobutanoate
| Molecular Formula | C20H18O6 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.11035 |
| Heavy Atoms | 26 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 116549-34-9 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O |
| InChIKey | NPVYNFQZZZKDEI-UHFFFAOYSA-N |
Product Overview
Carbethoxy propionyldithranol (CAS 116549-34-9), with molecular formula C20H18O6 and molecular weight 354.11 g/mol. IUPAC: ethyl 4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxobutanoate.
Chemical Property Profile of Carbethoxy propionyldithranol
Property Insights of Carbethoxy propionyldithranol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbethoxy propionyldithranol. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbethoxy propionyldithranol. Following Lipinski's Rule of Five, Carbethoxy propionyldithranol has 2 hydrogen bond donor(s) and 6 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 Carbethoxy propionyldithranol?
The CAS number of Carbethoxy propionyldithranol is 116549-34-9.
What is the molecular formula of Carbethoxy propionyldithranol?
The molecular formula of Carbethoxy propionyldithranol is C20H18O6.
What is the molecular weight of Carbethoxy propionyldithranol?
The molecular weight of Carbethoxy propionyldithranol is 354.11 g/mol.
Where can I buy Carbethoxy propionyldithranol?
You can request a quote for Carbethoxy propionyldithranol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbethoxy propionyldithranol?
Yes, KEHONG BIO provides custom synthesis services for Carbethoxy propionyldithranol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.