Bromocriptine Mesylate
TL;DR: Bromocriptine Mesylate (CAS 22260-51-1) is a chemical compound with molecular formula C33H44BrN5O8S and molecular weight 749.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
Also Known As: BROMOCRIPTINE MESYLATE, Parlodel, Pravidel, Bromocriptine mesilate, Cycloset
| Molecular Formula | C33H44BrN5O8S |
|---|---|
| Molecular Weight | 749.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 749.2094 |
| Heavy Atoms | 48 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 22260-51-1 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O |
| InChIKey | NOJMTMIRQRDZMT-GSPXQYRGSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromocriptine Mesylate (CAS 22260-51-1), with molecular formula C33H44BrN5O8S and molecular weight 749.21 g/mol. IUPAC: (6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid.
Chemical Property Profile of Bromocriptine Mesylate
Property Insights of Bromocriptine Mesylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromocriptine Mesylate. The TPSA of 181.0 Ų indicates high polarity, suggesting Bromocriptine Mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bromocriptine Mesylate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bromocriptine Mesylate?
The CAS number of Bromocriptine Mesylate is 22260-51-1.
What is the molecular formula of Bromocriptine Mesylate?
The molecular formula of Bromocriptine Mesylate is C33H44BrN5O8S.
What is the molecular weight of Bromocriptine Mesylate?
The molecular weight of Bromocriptine Mesylate is 749.21 g/mol.
Where can I buy Bromocriptine Mesylate?
You can request a quote for Bromocriptine Mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromocriptine Mesylate?
Yes, KEHONG BIO provides custom synthesis services for Bromocriptine Mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.