(2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1)
TL;DR: (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1) (CAS 50504-53-5) is a chemical compound with molecular formula C28H37N3O5 and molecular weight 495.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N,N-dibutyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1), (E)-but-2-enedioic acid;N,N-dibutyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
| Molecular Formula | C28H37N3O5 |
|---|---|
| Molecular Weight | 495.27 g/mol |
| LogP | 4.1782 |
| Topological Polar Surface Area | 113.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.27332 |
| Heavy Atoms | 36 |
| Complexity | 1125.2567 |
Chemical Identifiers
| CAS Number | 50504-53-5 |
|---|---|
| SMILES | CCCCN(CCCC)C(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
(2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1) (CAS 50504-53-5), with molecular formula C28H37N3O5 and molecular weight 495.27 g/mol. IUPAC: (E)-but-2-enedioic acid;N,N-dibutyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1)
Property Insights of (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1)
The XLogP value of 4.1782 indicates that (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1). Following Lipinski's Rule of Five, (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1) has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1)?
The CAS number of (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1) is 50504-53-5.
What is the molecular formula of (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1)?
The molecular formula of (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1) is C28H37N3O5.
What is the molecular weight of (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1)?
The molecular weight of (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1) is 495.27 g/mol.
Where can I buy (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1)?
You can request a quote for (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for (2E)-But-2-enedioic acid--N,N-dibutyl-6-methyl-9,10-didehydroergoline-8-carboxamide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.