翠雀碱
TL;DR: 翠雀碱 (CAS 561-07-9) is a chemical compound with molecular formula C33H45NO9 and molecular weight 599.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
翠雀碱
[8-acetyloxy-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Also Known As: Delphinine, Isomethadone l-form, [acetoxy-hydroxy-trimethoxy-(methoxymethyl)-methyl-[?]yl] benzoate, [8-acetyloxy-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate, 8-(Acetyloxy)-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate
| Molecular Formula | C33H45NO9 |
|---|---|
| Molecular Weight | 599.31 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 599.30945 |
| Heavy Atoms | 43 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 561-07-9 |
|---|---|
| SMILES | CC(=O)OC12CC(C3(CC(C1C3OC(=O)C4=CC=CC=C4)C56C(CCC7(C5C(C2C6N(C7)C)OC)COC)OC)O)OC |
| InChIKey | REVYTWNGZDPRKE-UHFFFAOYSA-N |
Product Overview
翠雀碱 (CAS 561-07-9), with molecular formula C33H45NO9 and molecular weight 599.31 g/mol. IUPAC: [8-acetyloxy-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate.
Chemical Property Profile of 翠雀碱
Property Insights of 翠雀碱
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 翠雀碱. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 翠雀碱. Following Lipinski's Rule of Five, 翠雀碱 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 翠雀碱?
The CAS number of 翠雀碱 is 561-07-9.
What is the molecular formula of 翠雀碱?
The molecular formula of 翠雀碱 is C33H45NO9.
What is the molecular weight of 翠雀碱?
The molecular weight of 翠雀碱 is 599.31 g/mol.
Where can I buy 翠雀碱?
You can request a quote for 翠雀碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 翠雀碱?
Yes, KEHONG BIO provides custom synthesis services for 翠雀碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.