Macrantaline
TL;DR: Macrantaline (CAS 69045-24-5) is a chemical compound with molecular formula C22H27NO6 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3-dimethoxy-6-[[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]phenyl]methanol
Also Known As: MACRANTALINE, (+)-Macrantaline, KST-1A7586, (2,3-dimethoxy-6-{[(5s)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}phenyl)methanol, (2,3-Dimethoxy-6-{[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}phenyl)methanol
| Molecular Formula | C22H27NO6 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.18384 |
| Heavy Atoms | 29 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 69045-24-5 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2[C@@H]1CC4=C(C(=C(C=C4)OC)OC)CO)OC)OCO3 |
| InChIKey | UYVPKNMJIKNYPY-INIZCTEOSA-N |
Product Overview
Macrantaline (CAS 69045-24-5), with molecular formula C22H27NO6 and molecular weight 401.18 g/mol. IUPAC: [2,3-dimethoxy-6-[[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]phenyl]methanol.
Chemical Property Profile of Macrantaline
Property Insights of Macrantaline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Macrantaline. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Macrantaline. Following Lipinski's Rule of Five, Macrantaline has 1 hydrogen bond donor(s) and 7 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 Macrantaline?
The CAS number of Macrantaline is 69045-24-5.
What is the molecular formula of Macrantaline?
The molecular formula of Macrantaline is C22H27NO6.
What is the molecular weight of Macrantaline?
The molecular weight of Macrantaline is 401.18 g/mol.
Where can I buy Macrantaline?
You can request a quote for Macrantaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Macrantaline?
Yes, KEHONG BIO provides custom synthesis services for Macrantaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.