1-Pentylagroclavine
TL;DR: 1-Pentylagroclavine (CAS 109428-53-7) is a chemical compound with molecular formula C21H28N2 and molecular weight 308.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,10aR)-7,9-dimethyl-4-pentyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline
Also Known As: 1-Pentylagroclavine, 1-Pentylagroclavin, 6,8-dimethyl-1-pentyl-8,9-didehydroergoline, 8,9-Didehydro-6,8-dimethyl-1-pentylergoline, Ergoline, 8,9-didehydro-6,8-dimethyl-1-pentyl-
| Molecular Formula | C21H28N2 |
|---|---|
| Molecular Weight | 308.23 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 8.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.22525 |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 109428-53-7 |
|---|---|
| SMILES | CCCCCN1C=C2C[C@@H]3[C@H](C=C(CN3C)C)C4=C2C1=CC=C4 |
| InChIKey | LDXAIDDOZJVFQO-UYAOXDASSA-N |
Product Overview
1-Pentylagroclavine (CAS 109428-53-7), with molecular formula C21H28N2 and molecular weight 308.23 g/mol. IUPAC: (6aR,10aR)-7,9-dimethyl-4-pentyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline.
Chemical Property Profile of 1-Pentylagroclavine
Property Insights of 1-Pentylagroclavine
The XLogP value of 4.2 indicates that 1-Pentylagroclavine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.2 Ų, 1-Pentylagroclavine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentylagroclavine has 0 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 1-Pentylagroclavine?
The CAS number of 1-Pentylagroclavine is 109428-53-7.
What is the molecular formula of 1-Pentylagroclavine?
The molecular formula of 1-Pentylagroclavine is C21H28N2.
What is the molecular weight of 1-Pentylagroclavine?
The molecular weight of 1-Pentylagroclavine is 308.23 g/mol.
Where can I buy 1-Pentylagroclavine?
You can request a quote for 1-Pentylagroclavine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pentylagroclavine?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentylagroclavine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.