22-O-acetyl-N(b)-demethylechitamine
TL;DR: 22-O-acetyl-N(b)-demethylechitamine (CAS 123064-74-4) is a chemical compound with molecular formula C23H28N2O5 and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (13Z)-18-(acetyloxymethyl)-13-ethylidene-10-hydroxy-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
Also Known As: 22-And-echitamine, 22-O-Acetyl-N(b)-demethylechitamine, methyl (13Z)-18-(acetyloxymethyl)-13-ethylidene-10-hydroxy-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate, RefChem:89731
| Molecular Formula | C23H28N2O5 |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | 1.8151 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.19983 |
| Heavy Atoms | 30 |
| Complexity | 960.6668 |
Chemical Identifiers
| CAS Number | 123064-74-4 |
|---|---|
| SMILES | C/C=C/1\CN2CCC34C2(C(CC1C3(COC(=O)C)C(=O)OC)O)NC5=CC=CC=C45 |
Product Overview
22-O-acetyl-N(b)-demethylechitamine (CAS 123064-74-4), with molecular formula C23H28N2O5 and molecular weight 412.20 g/mol. IUPAC: methyl (13Z)-18-(acetyloxymethyl)-13-ethylidene-10-hydroxy-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate.
Chemical Property Profile of 22-O-acetyl-N(b)-demethylechitamine
Property Insights of 22-O-acetyl-N(b)-demethylechitamine
The XLogP value of 1.8151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 22-O-acetyl-N(b)-demethylechitamine. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 22-O-acetyl-N(b)-demethylechitamine. Following Lipinski's Rule of Five, 22-O-acetyl-N(b)-demethylechitamine has 2 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 22-O-acetyl-N(b)-demethylechitamine?
The CAS number of 22-O-acetyl-N(b)-demethylechitamine is 123064-74-4.
What is the molecular formula of 22-O-acetyl-N(b)-demethylechitamine?
The molecular formula of 22-O-acetyl-N(b)-demethylechitamine is C23H28N2O5.
What is the molecular weight of 22-O-acetyl-N(b)-demethylechitamine?
The molecular weight of 22-O-acetyl-N(b)-demethylechitamine is 412.20 g/mol.
Where can I buy 22-O-acetyl-N(b)-demethylechitamine?
You can request a quote for 22-O-acetyl-N(b)-demethylechitamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 22-O-acetyl-N(b)-demethylechitamine?
Yes, KEHONG BIO provides custom synthesis services for 22-O-acetyl-N(b)-demethylechitamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.