美索舍平
TL;DR: 美索舍平 (CAS 865-04-3) is a chemical compound with molecular formula C33H40N2O9 and molecular weight 608.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
美索舍平
methyl (1R,15S,17R,18R,19S,20S)-7,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: Methoserpidine, Decaserpil, Decaserpyl, Tenserpina, Neoserpin
| Molecular Formula | C33H40N2O9 |
|---|---|
| Molecular Weight | 608.27 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 608.2734 |
| Heavy Atoms | 44 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 865-04-3 |
|---|---|
| SMILES | CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=C(C=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC |
| InChIKey | ULBNWNUHGJLQHO-VKMIBBQISA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
美索舍平 (CAS 865-04-3), with molecular formula C33H40N2O9 and molecular weight 608.27 g/mol. IUPAC: methyl (1R,15S,17R,18R,19S,20S)-7,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.
Chemical Property Profile of 美索舍平
Property Insights of 美索舍平
The XLogP value of 4.1 indicates that 美索舍平 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 美索舍平. Following Lipinski's Rule of Five, 美索舍平 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 美索舍平?
The CAS number of 美索舍平 is 865-04-3.
What is the molecular formula of 美索舍平?
The molecular formula of 美索舍平 is C33H40N2O9.
What is the molecular weight of 美索舍平?
The molecular weight of 美索舍平 is 608.27 g/mol.
Where can I buy 美索舍平?
You can request a quote for 美索舍平 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 美索舍平?
Yes, KEHONG BIO provides custom synthesis services for 美索舍平 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.