蕊木碱
TL;DR: 蕊木碱 (CAS 559-48-8) is a chemical compound with molecular formula C22H24N2O4 and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蕊木碱
methyl 18-hydroxy-17-oxo-5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-triene-5-carboxylate
Also Known As: Kopsine, Methyl 3-hydroxy-22-oxokopsan-1-carboxylate, Methyl 3-hydroxy-22-oxokopsan-1-carboxylate #, methyl 18-hydroxy-17-oxo-5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-triene-5-carboxylate
| Molecular Formula | C22H24N2O4 |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 380.1736 |
| Heavy Atoms | 28 |
| Complexity | 816.0 |
Chemical Identifiers
| CAS Number | 559-48-8 |
|---|---|
| SMILES | COC(=O)N1C2=CC=CC=C2C34C15CCC67C3N(CCC6)CC4C(=O)C5(C7)O |
| InChIKey | YROYAGSZNDUMIF-UHFFFAOYSA-N |
Product Overview
蕊木碱 (CAS 559-48-8), with molecular formula C22H24N2O4 and molecular weight 380.17 g/mol. IUPAC: methyl 18-hydroxy-17-oxo-5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-triene-5-carboxylate.
Chemical Property Profile of 蕊木碱
Property Insights of 蕊木碱
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蕊木碱. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 蕊木碱. Following Lipinski's Rule of Five, 蕊木碱 has 1 hydrogen bond donor(s) and 5 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 蕊木碱?
The CAS number of 蕊木碱 is 559-48-8.
What is the molecular formula of 蕊木碱?
The molecular formula of 蕊木碱 is C22H24N2O4.
What is the molecular weight of 蕊木碱?
The molecular weight of 蕊木碱 is 380.17 g/mol.
Where can I buy 蕊木碱?
You can request a quote for 蕊木碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蕊木碱?
Yes, KEHONG BIO provides custom synthesis services for 蕊木碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.