Dibromoreserpine
TL;DR: Dibromoreserpine (CAS 89853-85-0) is a chemical compound with molecular formula C33H38Br2N2O9 and molecular weight 764.09 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)-3,12-dibromo-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: Dibromoreserpine, Methyl 1,5-dibromo-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate, methyl (1R,15S,17R,18R,19S,20S)-3,12-dibromo-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate, Methyl 1,5-dibromo-11,17alpha-dimethoxy-18beta-[(3,4,5-trimethoxybenzoyl)oxy]-3beta,20alpha-yohimban-16beta-carboxylate, methyl 3,12-dibromo-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate
| Molecular Formula | C33H38Br2N2O9 |
|---|---|
| Molecular Weight | 764.09 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 764.0944 |
| Heavy Atoms | 46 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 89853-85-0 |
|---|---|
| SMILES | CO[C@H]1[C@@H](C[C@@H]2CN3[C@H](C[C@@H]2[C@@H]1C(=O)OC)C4=C(CC3Br)C5=C(N4Br)C=C(C=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC |
| InChIKey | VHGVJZAKMWEORI-HJACPHKOSA-N |
Product Overview
Dibromoreserpine (CAS 89853-85-0), with molecular formula C33H38Br2N2O9 and molecular weight 764.09 g/mol. IUPAC: methyl (1R,15S,17R,18R,19S,20S)-3,12-dibromo-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 Dibromoreserpine
Property Insights of Dibromoreserpine
The XLogP value of 6.0 indicates that Dibromoreserpine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibromoreserpine. Following Lipinski's Rule of Five, Dibromoreserpine has 0 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 Dibromoreserpine?
The CAS number of Dibromoreserpine is 89853-85-0.
What is the molecular formula of Dibromoreserpine?
The molecular formula of Dibromoreserpine is C33H38Br2N2O9.
What is the molecular weight of Dibromoreserpine?
The molecular weight of Dibromoreserpine is 764.09 g/mol.
Where can I buy Dibromoreserpine?
You can request a quote for Dibromoreserpine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibromoreserpine?
Yes, KEHONG BIO provides custom synthesis services for Dibromoreserpine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.