Nicergolyn
TL;DR: Nicergolyn (CAS 33227-10-0) is a chemical compound with molecular formula C28H32BrN3O9 and molecular weight 633.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR,9R,10aR)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-bromopyridin-1-ium-3-carboxylate;(2R)-2,3,4-trihydroxy-4-oxobutanoate
Also Known As: Nicergolyn, Nicergoline tartrate, Vasospan, Sermion, Adavin
| Molecular Formula | C28H32BrN3O9 |
|---|---|
| Molecular Weight | 633.13 g/mol |
| LogP | -0.1273 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 633.1322 |
| Heavy Atoms | 41 |
| Complexity | 827.0 |
Chemical Identifiers
| CAS Number | 33227-10-0 |
|---|---|
| SMILES | CN1C[C@@H](C[C@@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=C[NH+]=C5)Br.[C@@H](C(C(=O)O)O)(C(=O)[O-])O |
| InChIKey | HPTSPLOLRPLNPI-PPOPTZJYSA-N |
Product Overview
Nicergolyn (CAS 33227-10-0), with molecular formula C28H32BrN3O9 and molecular weight 633.13 g/mol. IUPAC: [(6aR,9R,10aR)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-bromopyridin-1-ium-3-carboxylate;(2R)-2,3,4-trihydroxy-4-oxobutanoate.
Chemical Property Profile of Nicergolyn
Property Insights of Nicergolyn
The XLogP value of -0.1273 indicates that Nicergolyn is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting Nicergolyn may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nicergolyn has 4 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 Nicergolyn?
The CAS number of Nicergolyn is 33227-10-0.
What is the molecular formula of Nicergolyn?
The molecular formula of Nicergolyn is C28H32BrN3O9.
What is the molecular weight of Nicergolyn?
The molecular weight of Nicergolyn is 633.13 g/mol.
Where can I buy Nicergolyn?
You can request a quote for Nicergolyn directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicergolyn?
Yes, KEHONG BIO provides custom synthesis services for Nicergolyn and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.