5838 Dni
TL;DR: 5838 Dni (CAS 146864-75-7) is a chemical compound with molecular formula C23H20O11 and molecular weight 472.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
Also Known As: Tetracenomycin, 5838 Dni, 5838-Dni, 2-Naphthacenecarboxylic acid, 6,6a,7,10,10a,11-hexahydro-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-, methyl ester, 1,4,4a,5,12,12a-Hexahydro-4,4a,11,12a-tetrahydroxy-3,8-dimethoxy-9-methoxycarbonyl-10-methyl-1,5,12-trioxonaphthacene
| Molecular Formula | C23H20O11 |
|---|---|
| Molecular Weight | 472.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.10056 |
| Heavy Atoms | 34 |
| Complexity | 959.0 |
Chemical Identifiers
| CAS Number | 146864-75-7 |
|---|---|
| SMILES | CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4(C(=O)C=C(C(C4(C3=O)O)O)OC)O)OC)C(=O)OC |
| InChIKey | ULHJWHCSSAEMLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5838 Dni (CAS 146864-75-7), with molecular formula C23H20O11 and molecular weight 472.10 g/mol. IUPAC: methyl 6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate.
Chemical Property Profile of 5838 Dni
Property Insights of 5838 Dni
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5838 Dni. The TPSA of 177.0 Ų indicates high polarity, suggesting 5838 Dni may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5838 Dni has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5838 Dni?
The CAS number of 5838 Dni is 146864-75-7.
What is the molecular formula of 5838 Dni?
The molecular formula of 5838 Dni is C23H20O11.
What is the molecular weight of 5838 Dni?
The molecular weight of 5838 Dni is 472.10 g/mol.
Where can I buy 5838 Dni?
You can request a quote for 5838 Dni directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5838 Dni?
Yes, KEHONG BIO provides custom synthesis services for 5838 Dni and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.