8-甲基-1-丙基麦角林-6-甲腈
TL;DR: 8-甲基-1-丙基麦角林-6-甲腈 (CAS 98931-06-7) is a chemical compound with molecular formula C19H23N3 and molecular weight 293.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-甲基-1-丙基麦角林-6-甲腈
(6aR,9R)-9-methyl-4-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-7-carbonitrile
Also Known As: 6-Cyano-1-propyl-6-norfestuclavine, 8-Methyl-1-propylergoline-6-carbonitrile, (8-beta)-8-Methyl-1-propylergoline-6-carbonitrile, Ergoline-6-carbonitrile, 8-methyl-1-propyl-, (8-beta)-, (10xi)-8beta-Methyl-1-propylergoline-6-carbonitrile
| Molecular Formula | C19H23N3 |
|---|---|
| Molecular Weight | 293.19 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 32.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.1892 |
| Heavy Atoms | 22 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 98931-06-7 |
|---|---|
| SMILES | CCCN1C=C2C[C@@H]3C(C[C@H](CN3C#N)C)C4=C2C1=CC=C4 |
| InChIKey | SSHXAWUVFBJJMN-DQYPLQBXSA-N |
Product Overview
8-甲基-1-丙基麦角林-6-甲腈 (CAS 98931-06-7), with molecular formula C19H23N3 and molecular weight 293.19 g/mol. IUPAC: (6aR,9R)-9-methyl-4-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-7-carbonitrile.
Chemical Property Profile of 8-甲基-1-丙基麦角林-6-甲腈
Property Insights of 8-甲基-1-丙基麦角林-6-甲腈
The XLogP value of 4.2 indicates that 8-甲基-1-丙基麦角林-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-丙基麦角林-6-甲腈?
The CAS number of 8-甲基-1-丙基麦角林-6-甲腈 is 98931-06-7.
What is the molecular formula of 8-甲基-1-丙基麦角林-6-甲腈?
The molecular formula of 8-甲基-1-丙基麦角林-6-甲腈 is C19H23N3.
What is the molecular weight of 8-甲基-1-丙基麦角林-6-甲腈?
The molecular weight of 8-甲基-1-丙基麦角林-6-甲腈 is 293.19 g/mol.
Where can I buy 8-甲基-1-丙基麦角林-6-甲腈?
You can request a quote for 8-甲基-1-丙基麦角林-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-丙基麦角林-6-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 8-甲基-1-丙基麦角林-6-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.