Beta-ergocryptam
TL;DR: Beta-ergocryptam (CAS 97387-94-5) is a chemical compound with molecular formula C32H41N5O4 and molecular weight 559.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(3-butan-2-yl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methyl-1-oxobutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Beta-ergocryptam, N-{1-[3-(Butan-2-yl)-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl}-6-methyl-9,10-didehydroergoline-8-carboximidic acid
| Molecular Formula | C32H41N5O4 |
|---|---|
| Molecular Weight | 559.32 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 559.31586 |
| Heavy Atoms | 41 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 97387-94-5 |
|---|---|
| SMILES | CCC(C)C1C(=O)N2CCCC2C(=O)N1C(=O)C(C(C)C)NC(=O)C3CN(C4CC5=CNC6=CC=CC(=C56)C4=C3)C |
| InChIKey | HKVSEIVDIONNKB-UHFFFAOYSA-N |
Product Overview
Beta-ergocryptam (CAS 97387-94-5), with molecular formula C32H41N5O4 and molecular weight 559.32 g/mol. IUPAC: N-[1-(3-butan-2-yl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methyl-1-oxobutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of Beta-ergocryptam
Property Insights of Beta-ergocryptam
The XLogP value of 3.6 indicates that Beta-ergocryptam is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Beta-ergocryptam. Following Lipinski's Rule of Five, Beta-ergocryptam has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Beta-ergocryptam?
The CAS number of Beta-ergocryptam is 97387-94-5.
What is the molecular formula of Beta-ergocryptam?
The molecular formula of Beta-ergocryptam is C32H41N5O4.
What is the molecular weight of Beta-ergocryptam?
The molecular weight of Beta-ergocryptam is 559.32 g/mol.
Where can I buy Beta-ergocryptam?
You can request a quote for Beta-ergocryptam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beta-ergocryptam?
Yes, KEHONG BIO provides custom synthesis services for Beta-ergocryptam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.