6,7-seco-Agroclavine
TL;DR: 6,7-seco-Agroclavine (CAS 68156-97-8) is a chemical compound with molecular formula C16H20N2 and molecular weight 240.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5R)-N-methyl-5-(2-methylprop-1-enyl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
Also Known As: 6,7-seco-Agroclavine, J2.051.663A, 8,9-Didehydro-6,8-dimethyl-6,7-secoergoline, Benz(cd)indol-4-amine, 1,3,4,5-tetrahydro-N-methyl-5-(2-methyl-1-propenyl)-, (4R,5R)-, 9alpha-(Methylamino)-8beta-(2-methyl-1-propenyl)-3,4-propano-1H-indole
| Molecular Formula | C16H20N2 |
|---|---|
| Molecular Weight | 240.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.16264 |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 68156-97-8 |
|---|---|
| SMILES | CC(=C[C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)C |
| InChIKey | NGJMPUDCQIYVMS-UKRRQHHQSA-N |
Product Overview
6,7-seco-Agroclavine (CAS 68156-97-8), with molecular formula C16H20N2 and molecular weight 240.16 g/mol. IUPAC: (4R,5R)-N-methyl-5-(2-methylprop-1-enyl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine.
Chemical Property Profile of 6,7-seco-Agroclavine
Property Insights of 6,7-seco-Agroclavine
The XLogP value of 3.4 indicates that 6,7-seco-Agroclavine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.8 Ų, 6,7-seco-Agroclavine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-seco-Agroclavine has 2 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 6,7-seco-Agroclavine?
The CAS number of 6,7-seco-Agroclavine is 68156-97-8.
What is the molecular formula of 6,7-seco-Agroclavine?
The molecular formula of 6,7-seco-Agroclavine is C16H20N2.
What is the molecular weight of 6,7-seco-Agroclavine?
The molecular weight of 6,7-seco-Agroclavine is 240.16 g/mol.
Where can I buy 6,7-seco-Agroclavine?
You can request a quote for 6,7-seco-Agroclavine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-seco-Agroclavine?
Yes, KEHONG BIO provides custom synthesis services for 6,7-seco-Agroclavine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.