2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1)
TL;DR: 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1) (CAS 67658-42-8) is a chemical compound with molecular formula C22H29N3O7 and molecular weight 447.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6aR,9S)-7-ethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: (8-beta)-6-Ethylergoline-8-acetamide tartrate, 6-Ethyl-ergoline-(8beta)-acetamide tartrate (1:1), Ergoline-8-acetamide, 6-ethyl-, (8-beta)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1), 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1), (2R,3R)-2,3-Dihydroxybutanedioic acid--[(10xi)-6-ethylergolin-8beta-yl]ethanimidic acid (1/1)
| Molecular Formula | C22H29N3O7 |
|---|---|
| Molecular Weight | 447.20 g/mol |
| LogP | 0.2708 |
| Topological Polar Surface Area | 177.18 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.20056 |
| Heavy Atoms | 32 |
| Complexity | 986.5709 |
Chemical Identifiers
| CAS Number | 67658-42-8 |
|---|---|
| SMILES | CCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CC(=O)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1) (CAS 67658-42-8), with molecular formula C22H29N3O7 and molecular weight 447.20 g/mol. IUPAC: 2-[(6aR,9S)-7-ethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid.
Chemical Property Profile of 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1)
Property Insights of 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1)
The XLogP value of 0.2708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1). The TPSA of 177.18 Ų indicates high polarity, suggesting 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1) 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 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1)?
The CAS number of 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1) is 67658-42-8.
What is the molecular formula of 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1)?
The molecular formula of 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1) is C22H29N3O7.
What is the molecular weight of 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1)?
The molecular weight of 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1) is 447.20 g/mol.
Where can I buy 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1)?
You can request a quote for 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydroxybutanedioic acid--2-(6-ethylergolin-8-yl)ethanimidic acid (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.