CTK2H8728
TL;DR: CTK2H8728 (CAS 73113-92-5) is a chemical compound with molecular formula C31H32O14 and molecular weight 628.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyloxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl] acetate
Also Known As: 3'-Acetoxy-4'-O-acetyladriamycin, 3'-Acetoxy-4'-O-acetyldoxorubicin, [3-acetyloxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl] acetate, 7-O-(3,4-Di-O-acetyl-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)adriamycinone, [4-acetyloxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-3-yl] acetate
| Molecular Formula | C31H32O14 |
|---|---|
| Molecular Weight | 628.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 628.1792 |
| Heavy Atoms | 45 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 73113-92-5 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)OC(=O)C)OC(=O)C |
| InChIKey | FCYRUGFDQOKETE-UHFFFAOYSA-N |
Product Overview
CTK2H8728 (CAS 73113-92-5), with molecular formula C31H32O14 and molecular weight 628.18 g/mol. IUPAC: [3-acetyloxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl] acetate.
Chemical Property Profile of CTK2H8728
Property Insights of CTK2H8728
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK2H8728. The TPSA of 212.0 Ų indicates high polarity, suggesting CTK2H8728 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK2H8728 has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK2H8728?
The CAS number of CTK2H8728 is 73113-92-5.
What is the molecular formula of CTK2H8728?
The molecular formula of CTK2H8728 is C31H32O14.
What is the molecular weight of CTK2H8728?
The molecular weight of CTK2H8728 is 628.18 g/mol.
Where can I buy CTK2H8728?
You can request a quote for CTK2H8728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK2H8728?
Yes, KEHONG BIO provides custom synthesis services for CTK2H8728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.