3-Methylharman
TL;DR: 3-Methylharman (CAS 22314-94-9) is a chemical compound with molecular formula C13H12N2 and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-9H-pyrido[3,4-b]indole
Also Known As: 3-Methylharman, 1,3-dimethyl-9H-pyrido[3,4-b]indole, 1,3-Dimethyl-beta-carboline, 9H-Pyrido(3,4-b)indole, 1,3-dimethyl-, RefChem:94907
| Molecular Formula | C13H12N2 |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 3.33294 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.10005 |
| Heavy Atoms | 15 |
| Complexity | 649.98944 |
Chemical Identifiers
| CAS Number | 22314-94-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=N1)C)NC3=CC=CC=C32 |
Product Overview
3-Methylharman (CAS 22314-94-9), with molecular formula C13H12N2 and molecular weight 196.10 g/mol. IUPAC: 1,3-dimethyl-9H-pyrido[3,4-b]indole.
Chemical Property Profile of 3-Methylharman
Property Insights of 3-Methylharman
The XLogP value of 3.33294 indicates that 3-Methylharman is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 3-Methylharman exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylharman has 1 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 3-Methylharman?
The CAS number of 3-Methylharman is 22314-94-9.
What is the molecular formula of 3-Methylharman?
The molecular formula of 3-Methylharman is C13H12N2.
What is the molecular weight of 3-Methylharman?
The molecular weight of 3-Methylharman is 196.10 g/mol.
Where can I buy 3-Methylharman?
You can request a quote for 3-Methylharman directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylharman?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylharman and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.