米切尔碱A
TL;DR: 米切尔碱A (CAS 137893-48-2) is a chemical compound with molecular formula C46H48N2O8 and molecular weight 756.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
米切尔碱A
5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
Also Known As: Michellamine A, Michellamine B, Michellamine, (-)-Michellamine A, 5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
| Molecular Formula | C46H48N2O8 |
|---|---|
| Molecular Weight | 756.34 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 756.34106 |
| Heavy Atoms | 56 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 137893-48-2 |
|---|---|
| SMILES | CC1CC2=C(C(=CC(=C2C(N1)C)O)O)C3=CC(=C(C4=C3C=C(C=C4OC)C)O)C5=C(C6=C(C=C(C=C6OC)C)C(=C5)C7=C8CC(NC(C8=C(C=C7O)O)C)C)O |
| InChIKey | GMLBVLXDRNJFGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
米切尔碱A (CAS 137893-48-2), with molecular formula C46H48N2O8 and molecular weight 756.34 g/mol. IUPAC: 5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol.
Chemical Property Profile of 米切尔碱A
Property Insights of 米切尔碱A
The XLogP value of 8.3 indicates that 米切尔碱A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting 米切尔碱A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 米切尔碱A has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 米切尔碱A?
The CAS number of 米切尔碱A is 137893-48-2.
What is the molecular formula of 米切尔碱A?
The molecular formula of 米切尔碱A is C46H48N2O8.
What is the molecular weight of 米切尔碱A?
The molecular weight of 米切尔碱A is 756.34 g/mol.
Where can I buy 米切尔碱A?
You can request a quote for 米切尔碱A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 米切尔碱A?
Yes, KEHONG BIO provides custom synthesis services for 米切尔碱A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.