N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide
TL;DR: N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide (CAS 109002-91-7) is a chemical compound with molecular formula C24H31N3O5 and molecular weight 441.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-acetyloxyethyl-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]amino]ethyl acetate
Also Known As: Awd 52-39, Awd-52-39, AWD 5239, N,N-Diacetoxyethyl 9,10-dihydrolysergic acid amide, Ergoline-8-carboxamide, N,N-bis(2-(acetyloxy)ethyl)-6-methyl-, (8beta)-
| Molecular Formula | C24H31N3O5 |
|---|---|
| Molecular Weight | 441.23 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 441.22638 |
| Heavy Atoms | 32 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 109002-91-7 |
|---|---|
| SMILES | CC(=O)OCCN(CCOC(=O)C)C(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C |
| InChIKey | LXWNLFQDQZPCPP-HCNFZCTASA-N |
Product Overview
N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide (CAS 109002-91-7), with molecular formula C24H31N3O5 and molecular weight 441.23 g/mol. IUPAC: 2-[2-acetyloxyethyl-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]amino]ethyl acetate.
Chemical Property Profile of N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide
Property Insights of N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide. Following Lipinski's Rule of Five, N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide has 1 hydrogen bond donor(s) and 6 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 N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide?
The CAS number of N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide is 109002-91-7.
What is the molecular formula of N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide?
The molecular formula of N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide is C24H31N3O5.
What is the molecular weight of N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide?
The molecular weight of N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide is 441.23 g/mol.
Where can I buy N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide?
You can request a quote for N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diacetoxyethyl 9,10-dihydrolysergic acid amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.