Tetracenomycin D3
TL;DR: Tetracenomycin D3 (CAS 117241-61-9) is a chemical compound with molecular formula C20H12O8 and molecular weight 380.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxotetracene-2-carboxylic acid
Also Known As: Tetracenomycin D3, Tetracenomycin D(3), TETRACENOMYCIN D, 3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylic acid, 3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxotetracene-2-carboxylic acid
| Molecular Formula | C20H12O8 |
|---|---|
| Molecular Weight | 380.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 380.05322 |
| Heavy Atoms | 28 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 117241-61-9 |
|---|---|
| SMILES | CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4=C(C3=O)C=C(C=C4O)O)O)C(=O)O |
| InChIKey | OXCNORDLEQIUCT-UHFFFAOYSA-N |
Product Overview
Tetracenomycin D3 (CAS 117241-61-9), with molecular formula C20H12O8 and molecular weight 380.05 g/mol. IUPAC: 3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxotetracene-2-carboxylic acid.
Chemical Property Profile of Tetracenomycin D3
Property Insights of Tetracenomycin D3
The XLogP value of 3.7 indicates that Tetracenomycin D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting Tetracenomycin D3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetracenomycin D3 has 5 hydrogen bond donor(s) and 8 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 Tetracenomycin D3?
The CAS number of Tetracenomycin D3 is 117241-61-9.
What is the molecular formula of Tetracenomycin D3?
The molecular formula of Tetracenomycin D3 is C20H12O8.
What is the molecular weight of Tetracenomycin D3?
The molecular weight of Tetracenomycin D3 is 380.05 g/mol.
Where can I buy Tetracenomycin D3?
You can request a quote for Tetracenomycin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetracenomycin D3?
Yes, KEHONG BIO provides custom synthesis services for Tetracenomycin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.