Bietasperine
TL;DR: Bietasperine (CAS 53-18-9) is a chemical compound with molecular formula C39H53N3O9 and molecular weight 707.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate
Also Known As: Bietaserpine, Bietasperine, DIETHYLAMINORESERPINE
| Molecular Formula | C39H53N3O9 |
|---|---|
| Molecular Weight | 707.38 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 707.3782 |
| Heavy Atoms | 51 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 53-18-9 |
|---|---|
| SMILES | CCN(CC)CCN1C2=C(C=CC(=C2)OC)C3=C1C4CC5C(CC(C(C5C(=O)OC)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC)CN4CC3 |
| InChIKey | WFTSRDISOMSAQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bietasperine (CAS 53-18-9), with molecular formula C39H53N3O9 and molecular weight 707.38 g/mol. IUPAC: methyl 3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate.
Chemical Property Profile of Bietasperine
Property Insights of Bietasperine
The XLogP value of 4.7 indicates that Bietasperine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bietasperine. Following Lipinski's Rule of Five, Bietasperine has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bietasperine?
The CAS number of Bietasperine is 53-18-9.
What is the molecular formula of Bietasperine?
The molecular formula of Bietasperine is C39H53N3O9.
What is the molecular weight of Bietasperine?
The molecular weight of Bietasperine is 707.38 g/mol.
Where can I buy Bietasperine?
You can request a quote for Bietasperine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bietasperine?
Yes, KEHONG BIO provides custom synthesis services for Bietasperine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.