Briserin
TL;DR: Briserin (CAS 55128-93-3) is a chemical compound with molecular formula C83H104ClN10O20S2- and molecular weight 1659.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;4-chloro-N-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide;methanesulfonate;methyl (1R,15S,17R,18R,19S,20S)-6,18-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: Brinerdine, Briserin, Kristepin, clopamide - dihydroergotoxine - reserpine, SID:312525273
| Molecular Formula | C83H104ClN10O20S2- |
|---|---|
| Molecular Weight | 1659.66 g/mol |
| LogP | 7.9448 |
| Topological Polar Surface Area | 402.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 18 |
| Exact Mass | 1659.6559 |
| Heavy Atoms | 116 |
| Complexity | 2790.0 |
Chemical Identifiers
| CAS Number | 55128-93-3 |
|---|---|
| SMILES | C[C@@H]1CCC[C@@H](N1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C.CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC.CS(=O)(=O)[O-] |
| InChIKey | WJNSNWBQNIJBPS-QHUIZQASSA-M |
Product Overview
Briserin (CAS 55128-93-3), with molecular formula C83H104ClN10O20S2- and molecular weight 1659.66 g/mol. IUPAC: (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;4-chloro-N-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide;methanesulfonate;methyl (1R,15S,17R,18R,19S,20S)-6,18-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 Briserin
Property Insights of Briserin
The XLogP value of 7.9448 indicates that Briserin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 402.0 Ų indicates high polarity, suggesting Briserin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Briserin has 6 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Briserin?
The CAS number of Briserin is 55128-93-3.
What is the molecular formula of Briserin?
The molecular formula of Briserin is C83H104ClN10O20S2-.
What is the molecular weight of Briserin?
The molecular weight of Briserin is 1659.66 g/mol.
Where can I buy Briserin?
You can request a quote for Briserin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Briserin?
Yes, KEHONG BIO provides custom synthesis services for Briserin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.