11-Methoxymacusine A
TL;DR: 11-Methoxymacusine A (CAS 87340-28-1) is a chemical compound with molecular formula C23H29N2O4+ and molecular weight 397.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,12S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-6-methoxy-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-carboxylate
Also Known As: 11-Methoxymacusine A, 11-methoxy-macusine A, 17-Hydroxy-11-methoxy-16(R)-(methoxycarbonyl)-4-methylsarpaganium, methyl (1S,12S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-6-methoxy-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-carboxylate, Sarpaganium, 17-hydroxy-11-methoxy-16-(methoxycarbonyl)-4-methyl-, (16R)-
| Molecular Formula | C23H29N2O4+ |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | 2.7204 |
| Topological Polar Surface Area | 71.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.21274 |
| Heavy Atoms | 29 |
| Complexity | 1040.9175 |
Chemical Identifiers
| CAS Number | 87340-28-1 |
|---|---|
| SMILES | C/C=C\1/C[N+]2([C@H]3C[C@@H]1C([C@@H]2CC4=C3NC5=C4C=CC(=C5)OC)(CO)C(=O)OC)C |
Product Overview
11-Methoxymacusine A (CAS 87340-28-1), with molecular formula C23H29N2O4+ and molecular weight 397.21 g/mol. IUPAC: methyl (1S,12S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-6-methoxy-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-carboxylate.
Chemical Property Profile of 11-Methoxymacusine A
Property Insights of 11-Methoxymacusine A
The XLogP value of 2.7204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Methoxymacusine A. The TPSA of 71.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-Methoxymacusine A. Following Lipinski's Rule of Five, 11-Methoxymacusine A has 2 hydrogen bond donor(s) and 4 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 11-Methoxymacusine A?
The CAS number of 11-Methoxymacusine A is 87340-28-1.
What is the molecular formula of 11-Methoxymacusine A?
The molecular formula of 11-Methoxymacusine A is C23H29N2O4+.
What is the molecular weight of 11-Methoxymacusine A?
The molecular weight of 11-Methoxymacusine A is 397.21 g/mol.
Where can I buy 11-Methoxymacusine A?
You can request a quote for 11-Methoxymacusine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Methoxymacusine A?
Yes, KEHONG BIO provides custom synthesis services for 11-Methoxymacusine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.