RefChem:1084185
TL;DR: RefChem:1084185 (CAS 160730-62-1) is a chemical compound with molecular formula C24H29N5O4 and molecular weight 451.22195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R)-7-propyl-9-(1,2,4-triazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;(E)-but-2-enedioic acid
Also Known As: (5R,8R,10R)-6-Propyl-8-(1,2,4-triazol-1-ylmethyl)ergoline maleate, 6-Propyl-8-(1H-1,2,4-triazol-1-ylmethyl)ergoline (8-beta)- (Z)-2-butenedioate (1:1), Ergoline, 6-propyl-8-(1H-1,2,4-triazol-1-ylmethyl)-, (8-beta)-, (Z)-2-butenedioate (1:1)
Technical Specifications
| Molecular Formula | C24H29N5O4 |
| Molecular Weight | 451.22195 g/mol |
| XLogP | 2.9116 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.22195 Da |
| Heavy Atoms | 33 |
| Complexity | 590.0 |
| SMILES | CCCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=NC=N5.C(=C/C(=O)O)\C(=O)O |
| InChIKey | NIIFCJKXEFHJSQ-VOJJDNHOSA-N |
Chemical Property Profile of RefChem:1084185
Property Insights of RefChem:1084185
The XLogP value of 2.9116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084185. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084185. Following Lipinski's Rule of Five, RefChem:1084185 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1084185?
The CAS number of RefChem:1084185 is 160730-62-1.
What is the molecular formula of RefChem:1084185?
The molecular formula of RefChem:1084185 is C24H29N5O4.
What is the molecular weight of RefChem:1084185?
The molecular weight of RefChem:1084185 is 451.22195 g/mol.
Where can I buy RefChem:1084185?
You can request a quote for RefChem:1084185 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1084185?
Yes, CoreyChem provides custom synthesis services for RefChem:1084185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.