Merobustinine
TL;DR: Merobustinine (CAS 25433-45-8) is a chemical compound with molecular formula C21H25NO5 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10S)-3,5,16-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-4,17-diol
Also Known As: Merobustinine, (+)-Multifloramine, 2,9,11-Trimethoxy-C-homo-6a-alpha-aporphine-1,10-diol, Benzo(6,7)cyclohept(1,2,3-ij)isoquinoline-1,11-diol, 4,5,6,6a,7,8-hexahydro-6-methyl-2,10,12-trimethoxy-, (S)-, C-Homo-6a-alpha-aporphine-1,10-diol, 2,9,11-trimethoxy-
| Molecular Formula | C21H25NO5 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.17328 |
| Heavy Atoms | 27 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 25433-45-8 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1CCC4=CC(=C(C(=C43)OC)O)OC)O)OC |
| InChIKey | JCWDQBQBVNMMNK-ZDUSSCGKSA-N |
Product Overview
Merobustinine (CAS 25433-45-8), with molecular formula C21H25NO5 and molecular weight 371.17 g/mol. IUPAC: (10S)-3,5,16-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-4,17-diol.
Chemical Property Profile of Merobustinine
Property Insights of Merobustinine
The XLogP value of 3.0 indicates that Merobustinine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Merobustinine. Following Lipinski's Rule of Five, Merobustinine has 2 hydrogen bond donor(s) and 6 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 Merobustinine?
The CAS number of Merobustinine is 25433-45-8.
What is the molecular formula of Merobustinine?
The molecular formula of Merobustinine is C21H25NO5.
What is the molecular weight of Merobustinine?
The molecular weight of Merobustinine is 371.17 g/mol.
Where can I buy Merobustinine?
You can request a quote for Merobustinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Merobustinine?
Yes, KEHONG BIO provides custom synthesis services for Merobustinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.