8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈
TL;DR: 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈 (CAS 98931-07-8) is a chemical compound with molecular formula C19H21N3 and molecular weight 291.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈
(6aR,9R)-9-methyl-4-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-7-carbonitrile
Also Known As: 1-Allyl-6-cyano-6-norfestuclavine, (8-beta)-8-Methyl-1-(2-propenyl)ergoline-6-carbonitrile, Ergoline-6-carbonitrile, 8-methyl-1-(2-propenyl)-, (8-beta)-, 8-Methyl-1-(prop-2-en-1-yl)ergoline-6-carbonitrile, Ergoline-6-carbonitrile, 8-methyl-1-(2-propenyl)-, (8beta)-
| Molecular Formula | C19H21N3 |
|---|---|
| Molecular Weight | 291.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 32.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.17355 |
| Heavy Atoms | 22 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 98931-07-8 |
|---|---|
| SMILES | C[C@@H]1CC2[C@@H](CC3=CN(C4=CC=CC2=C34)CC=C)N(C1)C#N |
| InChIKey | ADCDISFHDLKFFS-DQYPLQBXSA-N |
Product Overview
8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈 (CAS 98931-07-8), with molecular formula C19H21N3 and molecular weight 291.17 g/mol. IUPAC: (6aR,9R)-9-methyl-4-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-7-carbonitrile.
Chemical Property Profile of 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈
Property Insights of 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈
The XLogP value of 4.1 indicates that 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.0 Ų, 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈 has 0 hydrogen bond donor(s) and 2 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 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈?
The CAS number of 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈 is 98931-07-8.
What is the molecular formula of 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈?
The molecular formula of 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈 is C19H21N3.
What is the molecular weight of 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈?
The molecular weight of 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈 is 291.17 g/mol.
Where can I buy 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈?
You can request a quote for 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 8-甲基-1-(丙-2-烯-1-基)麦角林-6-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.