TOP-53 dihydrochloride
TL;DR: TOP-53 dihydrochloride (CAS 147238-98-0) is a chemical compound with molecular formula C28H38Cl2N2O7 and molecular weight 584.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,5aR,8aR,9S)-9-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;dihydrochloride
Also Known As: ToP-53 dihydroChloride, TOP-53 dichloride salt, Top 53, 238T980, (5R,5aR,8aR,9S)-9-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;dihydrochloride
| Molecular Formula | C28H38Cl2N2O7 |
|---|---|
| Molecular Weight | 584.21 g/mol |
| LogP | 3.8835 |
| Topological Polar Surface Area | 89.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 584.2056 |
| Heavy Atoms | 39 |
| Complexity | 1153.8359 |
Chemical Identifiers
| CAS Number | 147238-98-0 |
|---|---|
| SMILES | CN(C)CCN(C)CC[C@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl.Cl |
Product Overview
TOP-53 dihydrochloride (CAS 147238-98-0), with molecular formula C28H38Cl2N2O7 and molecular weight 584.21 g/mol. IUPAC: (5R,5aR,8aR,9S)-9-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;dihydrochloride.
Chemical Property Profile of TOP-53 dihydrochloride
Property Insights of TOP-53 dihydrochloride
The XLogP value of 3.8835 indicates that TOP-53 dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.93 Ų falls within the moderate polarity range, balancing permeability and solubility for TOP-53 dihydrochloride. Following Lipinski's Rule of Five, TOP-53 dihydrochloride has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TOP-53 dihydrochloride?
The CAS number of TOP-53 dihydrochloride is 147238-98-0.
What is the molecular formula of TOP-53 dihydrochloride?
The molecular formula of TOP-53 dihydrochloride is C28H38Cl2N2O7.
What is the molecular weight of TOP-53 dihydrochloride?
The molecular weight of TOP-53 dihydrochloride is 584.21 g/mol.
Where can I buy TOP-53 dihydrochloride?
You can request a quote for TOP-53 dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TOP-53 dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for TOP-53 dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.