脱羧麦角酸
TL;DR: 脱羧麦角酸 (CAS 5465-62-3) is a chemical compound with molecular formula C15H16N2 and molecular weight 224.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脱羧麦角酸
(6aR)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
Also Known As: Descarboxylysergic acid, 9,10-Didehydro-6-methylergoline, 6-methyl-9,10-didehydroergoline, 2(3H)-Furanone,5-(4-methoxyphenyl)-3,3-dimethyl, Indolo[4,3-fg]quinoline, 4,6,6a,7,8,9-hexahydro-7-methyl-, (R)-
| Molecular Formula | C15H16N2 |
|---|---|
| Molecular Weight | 224.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.13135 |
| Heavy Atoms | 17 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 5465-62-3 |
|---|---|
| SMILES | CN1CCC=C2[C@H]1CC3=CNC4=CC=CC2=C34 |
| InChIKey | AHFZNJIKXMBLTJ-CQSZACIVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
脱羧麦角酸 (CAS 5465-62-3), with molecular formula C15H16N2 and molecular weight 224.13 g/mol. IUPAC: (6aR)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline.
Chemical Property Profile of 脱羧麦角酸
Property Insights of 脱羧麦角酸
The XLogP value of 3.0 indicates that 脱羧麦角酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.0 Ų, 脱羧麦角酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 脱羧麦角酸 has 1 hydrogen bond donor(s) and 1 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 脱羧麦角酸?
The CAS number of 脱羧麦角酸 is 5465-62-3.
What is the molecular formula of 脱羧麦角酸?
The molecular formula of 脱羧麦角酸 is C15H16N2.
What is the molecular weight of 脱羧麦角酸?
The molecular weight of 脱羧麦角酸 is 224.13 g/mol.
Where can I buy 脱羧麦角酸?
You can request a quote for 脱羧麦角酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脱羧麦角酸?
Yes, KEHONG BIO provides custom synthesis services for 脱羧麦角酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.