5-甲基吲哚
TL;DR: 5-甲基吲哚 (CAS 614-96-0) is a chemical compound with molecular formula C9H9N and molecular weight 131.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-甲基吲哚
5-methyl-1H-indole
Also Known As: 5-METHYLINDOLE, 5-Methyl-1H-indole, 5-Methylindol, 1H-Indole, 5-methyl-, Indole, 5-methyl-
| Molecular Formula | C9H9N |
|---|---|
| Molecular Weight | 131.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.0735 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 614-96-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC=C2 |
| InChIKey | YPKBCLZFIYBSHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-甲基吲哚 (CAS 614-96-0), with molecular formula C9H9N and molecular weight 131.07 g/mol. IUPAC: 5-methyl-1H-indole.
Chemical Property Profile of 5-甲基吲哚
Property Insights of 5-甲基吲哚
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-甲基吲哚. With a topological polar surface area (TPSA) of 15.8 Ų, 5-甲基吲哚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-甲基吲哚 has 1 hydrogen bond donor(s) and 0 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 5-甲基吲哚?
The CAS number of 5-甲基吲哚 is 614-96-0.
What is the molecular formula of 5-甲基吲哚?
The molecular formula of 5-甲基吲哚 is C9H9N.
What is the molecular weight of 5-甲基吲哚?
The molecular weight of 5-甲基吲哚 is 131.07 g/mol.
Where can I buy 5-甲基吲哚?
You can request a quote for 5-甲基吲哚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-甲基吲哚?
Yes, KEHONG BIO provides custom synthesis services for 5-甲基吲哚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.