D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate)
TL;DR: D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate) (CAS 59033-44-2) is a chemical compound with molecular formula C28H37N3O8 and molecular weight 543.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]ethyl]propan-2-amine;bis((Z)-but-2-enedioic acid)
Also Known As: D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate), (8-beta)-6-Methyl-N-(1-methylethyl)ergoline-8-ethanamine (Z)-2-butenedioate (1:2), Ergoline-8-ethanamine, 6-methyl-N-(1-methylethyl)-, (8-beta)-, (Z)-2-butenedioate (1:2)
| Molecular Formula | C28H37N3O8 |
|---|---|
| Molecular Weight | 543.26 g/mol |
| LogP | 2.9396 |
| Topological Polar Surface Area | 180.26 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 543.25806 |
| Heavy Atoms | 39 |
| Complexity | 1150.6089 |
Chemical Identifiers
| CAS Number | 59033-44-2 |
|---|---|
| SMILES | CC(NCC[C@H]1CN([C@H]2C(C1)C3=C4C(=CC=C3)NC=C4C2)C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate) (CAS 59033-44-2), with molecular formula C28H37N3O8 and molecular weight 543.26 g/mol. IUPAC: N-[2-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]ethyl]propan-2-amine;bis((Z)-but-2-enedioic acid).
Chemical Property Profile of D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate)
Property Insights of D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate)
The XLogP value of 2.9396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate). The TPSA of 180.26 Ų indicates high polarity, suggesting D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate) has 6 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 D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate)?
The CAS number of D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate) is 59033-44-2.
What is the molecular formula of D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate)?
The molecular formula of D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate) is C28H37N3O8.
What is the molecular weight of D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate)?
The molecular weight of D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate) is 543.26 g/mol.
Where can I buy D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate)?
You can request a quote for D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate)?
Yes, KEHONG BIO provides custom synthesis services for D-6-Methyl-8-(beta-isopropylaminoethyl)ergoline-I bis(hydrogen maleate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.