1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate
TL;DR: 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate (CAS 64080-23-5) is a chemical compound with molecular formula C24H35N5O7 and molecular weight 505.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]amino]-1,1-diethylurea;(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate, 2,2-Diethyl-N-((8-alpha)-6-methylergolin-8-yl)hydrazinecarboxamide tartrate, Hydrazinecarboxamide, 2,2-diethyl-N-((8-alpha)-6-methylergolin-8-yl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1), (2R,3R)-2,3-Dihydroxybutanedioic acid--N,N-diethyl-N'-[(10xi)-6-methylergolin-8alpha-yl]carbamohydrazonic acid (1/1), 2,3-Dihydroxybutanedioic acid--N,N-diethyl-N'-(6-methylergolin-8-yl)carbamohydrazonic acid (1/1)
| Molecular Formula | C24H35N5O7 |
|---|---|
| Molecular Weight | 505.25 g/mol |
| LogP | 0.3137 |
| Topological Polar Surface Area | 178.46 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.25366 |
| Heavy Atoms | 36 |
| Complexity | 1067.9899 |
Chemical Identifiers
| CAS Number | 64080-23-5 |
|---|---|
| SMILES | CCN(CC)C(=O)NN[C@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate (CAS 64080-23-5), with molecular formula C24H35N5O7 and molecular weight 505.25 g/mol. IUPAC: 3-[[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]amino]-1,1-diethylurea;(2R,3R)-2,3-dihydroxybutanedioic acid.
Chemical Property Profile of 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate
Property Insights of 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate
The XLogP value of 0.3137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate. The TPSA of 178.46 Ų indicates high polarity, suggesting 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate?
The CAS number of 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate is 64080-23-5.
What is the molecular formula of 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate?
The molecular formula of 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate is C24H35N5O7.
What is the molecular weight of 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate?
The molecular weight of 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate is 505.25 g/mol.
Where can I buy 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate?
You can request a quote for 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diethyl-4-(D-6-methyl-8-isoergolin-I-yl)semicarbazide tartrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.