Bishomoreserpine
TL;DR: Bishomoreserpine (CAS 5700-94-7) is a chemical compound with molecular formula C35H44N2O9 and molecular weight 636.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,15S,17R,18R,19S,20S)-17-(3,5-diethoxy-4-methoxybenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: Bishomoreserpine, Methyl O-(3,5-diethoxy-4-methoxybenzoyl)reserpate, Reserpic acid, methyl ester, 3,5-diethoxy-4-methoxybenzoate, AE-641/37091010, 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,5-diethoxy-4-methoxybenzoate (ester)
| Molecular Formula | C35H44N2O9 |
|---|---|
| Molecular Weight | 636.30 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 636.3047 |
| Heavy Atoms | 46 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 5700-94-7 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OC)OCC)C(=O)O[C@@H]2C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC)NC6=C5C=CC(=C6)OC |
| InChIKey | OAHKGCZRPCQUJS-NRDBUMKBSA-N |
Product Overview
Bishomoreserpine (CAS 5700-94-7), with molecular formula C35H44N2O9 and molecular weight 636.30 g/mol. IUPAC: methyl (1R,15S,17R,18R,19S,20S)-17-(3,5-diethoxy-4-methoxybenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.
Chemical Property Profile of Bishomoreserpine
Property Insights of Bishomoreserpine
The XLogP value of 4.8 indicates that Bishomoreserpine 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 Bishomoreserpine. Following Lipinski's Rule of Five, Bishomoreserpine 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 Bishomoreserpine?
The CAS number of Bishomoreserpine is 5700-94-7.
What is the molecular formula of Bishomoreserpine?
The molecular formula of Bishomoreserpine is C35H44N2O9.
What is the molecular weight of Bishomoreserpine?
The molecular weight of Bishomoreserpine is 636.30 g/mol.
Where can I buy Bishomoreserpine?
You can request a quote for Bishomoreserpine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bishomoreserpine?
Yes, KEHONG BIO provides custom synthesis services for Bishomoreserpine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.