Top 53
TL;DR: Top 53 (CAS 148262-19-5) is a chemical compound with molecular formula C28H36N2O7 and molecular weight 512.25 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
Also Known As: Top 53, TOP53, TOP-53 FREE BASE, (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, 262T195
| Molecular Formula | C28H36N2O7 |
|---|---|
| Molecular Weight | 512.25 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.25226 |
| Heavy Atoms | 37 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 148262-19-5 |
|---|---|
| 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 |
| InChIKey | KLCCMMSKRMSMKI-QVNMXXJYSA-N |
Product Overview
Top 53 (CAS 148262-19-5), with molecular formula C28H36N2O7 and molecular weight 512.25 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.
Chemical Property Profile of Top 53
Property Insights of Top 53
The XLogP value of 3.0 indicates that Top 53 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Top 53. Following Lipinski's Rule of Five, Top 53 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?
The CAS number of Top 53 is 148262-19-5.
What is the molecular formula of Top 53?
The molecular formula of Top 53 is C28H36N2O7.
What is the molecular weight of Top 53?
The molecular weight of Top 53 is 512.25 g/mol.
Where can I buy Top 53?
You can request a quote for Top 53 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Top 53?
Yes, KEHONG BIO provides custom synthesis services for Top 53 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.