四虫霉素D3甲酯
TL;DR: 四虫霉素D3甲酯 (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.
四虫霉素D3甲酯
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
四虫霉素D3甲酯 (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 四虫霉素D3甲酯
Property Insights of 四虫霉素D3甲酯
The XLogP value of 4.0 indicates that 四虫霉素D3甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 四虫霉素D3甲酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 四虫霉素D3甲酯 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 四虫霉素D3甲酯?
The CAS number of 四虫霉素D3甲酯 is 104513-07-7.
What is the molecular formula of 四虫霉素D3甲酯?
The molecular formula of 四虫霉素D3甲酯 is C21H14O8.
What is the molecular weight of 四虫霉素D3甲酯?
The molecular weight of 四虫霉素D3甲酯 is 394.07 g/mol.
Where can I buy 四虫霉素D3甲酯?
You can request a quote for 四虫霉素D3甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四虫霉素D3甲酯?
Yes, KEHONG BIO provides custom synthesis services for 四虫霉素D3甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.