Tetracenomycin D3 methylester
TL;DR: Tetracenomycin D3 methylester (CAS 104513-07-7) is a chemical compound with molecular formula C21H14O8 and molecular weight 394.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxotetracene-2-carboxylate
Also Known As: Tetracenomycin D3 methylester, tetracenomycin D3 methyl ester, methyl 3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylate, methyl 3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxotetracene-2-carboxylate, 6,11-Dihydro-3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxo-2-naphthacenecarboxylic acid methyl ester
| Molecular Formula | C21H14O8 |
|---|---|
| Molecular Weight | 394.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.06888 |
| Heavy Atoms | 29 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 104513-07-7 |
|---|---|
| SMILES | CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4=C(C3=O)C=C(C=C4O)O)O)C(=O)OC |
| InChIKey | RQYUIUSZANHVJK-UHFFFAOYSA-N |
Product Overview
Tetracenomycin D3 methylester (CAS 104513-07-7), with molecular formula C21H14O8 and molecular weight 394.07 g/mol. IUPAC: methyl 3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxotetracene-2-carboxylate.
Chemical Property Profile of Tetracenomycin D3 methylester
Property Insights of Tetracenomycin D3 methylester
The XLogP value of 4.0 indicates that Tetracenomycin D3 methylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Tetracenomycin D3 methylester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetracenomycin D3 methylester has 4 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 methylester?
The CAS number of Tetracenomycin D3 methylester is 104513-07-7.
What is the molecular formula of Tetracenomycin D3 methylester?
The molecular formula of Tetracenomycin D3 methylester is C21H14O8.
What is the molecular weight of Tetracenomycin D3 methylester?
The molecular weight of Tetracenomycin D3 methylester is 394.07 g/mol.
Where can I buy Tetracenomycin D3 methylester?
You can request a quote for Tetracenomycin D3 methylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetracenomycin D3 methylester?
Yes, KEHONG BIO provides custom synthesis services for Tetracenomycin D3 methylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.