刺山楂碱
TL;DR: 刺山楂碱 (CAS 548-40-3) is a chemical compound with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
刺山楂碱
(1R,14S)-20,26-dimethoxy-15,31-dimethyl-8,24-dioxa-15,31-diazaheptacyclo[23.6.2.29,12.13,7.114,18.028,32.022,34]heptatriaconta-3(37),4,6,9(36),10,12(35),18,20,22(34),25,27,32-dodecaene-6,21-diol
Also Known As: Oxyacanthine, Oxycanthine, Vinetine, N-Methylocoteamine, N-Methylsepeerine
| Molecular Formula | C37H40N2O6 |
|---|---|
| Molecular Weight | 608.29 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 608.28864 |
| Heavy Atoms | 45 |
| Complexity | 963.0 |
Chemical Identifiers
| CAS Number | 548-40-3 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)OC3)O)O)OC |
| InChIKey | KFOTVHQUFWAKNY-IHLOFXLRSA-N |
Product Overview
刺山楂碱 (CAS 548-40-3), with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol. IUPAC: (1R,14S)-20,26-dimethoxy-15,31-dimethyl-8,24-dioxa-15,31-diazaheptacyclo[23.6.2.29,12.13,7.114,18.028,32.022,34]heptatriaconta-3(37),4,6,9(36),10,12(35),18,20,22(34),25,27,32-dodecaene-6,21-diol.
Chemical Property Profile of 刺山楂碱
Property Insights of 刺山楂碱
The XLogP value of 5.9 indicates that 刺山楂碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 刺山楂碱. Following Lipinski's Rule of Five, 刺山楂碱 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 刺山楂碱?
The CAS number of 刺山楂碱 is 548-40-3.
What is the molecular formula of 刺山楂碱?
The molecular formula of 刺山楂碱 is C37H40N2O6.
What is the molecular weight of 刺山楂碱?
The molecular weight of 刺山楂碱 is 608.29 g/mol.
Where can I buy 刺山楂碱?
You can request a quote for 刺山楂碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 刺山楂碱?
Yes, KEHONG BIO provides custom synthesis services for 刺山楂碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.