溴隱亭
TL;DR: 溴隱亭 (CAS 25614-03-3) is a chemical compound with molecular formula C32H40BrN5O5 and molecular weight 653.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴隱亭
(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
Also Known As: bromocriptine, Bromocryptine, Bromocriptin, Bromoergocryptine, Bromoergocriptine
| Molecular Formula | C32H40BrN5O5 |
|---|---|
| Molecular Weight | 653.22 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 653.22125 |
| Heavy Atoms | 43 |
| Complexity | 1230.0 |
| Melting Point | 215-218 |
| Solubility | 8.58e-02 g/L |
Chemical Identifiers
| CAS Number | 25614-03-3 |
|---|---|
| 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 |
| InChIKey | OZVBMTJYIDMWIL-AYFBDAFISA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴隱亭 (CAS 25614-03-3), with molecular formula C32H40BrN5O5 and molecular weight 653.22 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.
Chemical Property Profile of 溴隱亭
Property Insights of 溴隱亭
The XLogP value of 3.8 indicates that 溴隱亭 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 溴隱亭. Following Lipinski's Rule of Five, 溴隱亭 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 溴隱亭?
The CAS number of 溴隱亭 is 25614-03-3.
What is the molecular formula of 溴隱亭?
The molecular formula of 溴隱亭 is C32H40BrN5O5.
What is the molecular weight of 溴隱亭?
The molecular weight of 溴隱亭 is 653.22 g/mol.
Where can I buy 溴隱亭?
You can request a quote for 溴隱亭 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴隱亭?
Yes, KEHONG BIO provides custom synthesis services for 溴隱亭 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.