Homarylamine
TL;DR: Homarylamine (CAS 451-77-4) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-N-methylethanamine
Also Known As: Homarylamine, Homarilamina, Homarylaminum, Mdmpea, null
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 451-77-4 |
|---|---|
| SMILES | CNCCC1=CC2=C(C=C1)OCO2 |
| InChIKey | OPJOMVMFYOUDPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Homarylamine (CAS 451-77-4), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-N-methylethanamine.
Chemical Property Profile of Homarylamine
Property Insights of Homarylamine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Homarylamine. With a topological polar surface area (TPSA) of 30.5 Ų, Homarylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Homarylamine has 1 hydrogen bond donor(s) and 3 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 Homarylamine?
The CAS number of Homarylamine is 451-77-4.
What is the molecular formula of Homarylamine?
The molecular formula of Homarylamine is C10H13NO2.
What is the molecular weight of Homarylamine?
The molecular weight of Homarylamine is 179.09 g/mol.
Where can I buy Homarylamine?
You can request a quote for Homarylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homarylamine?
Yes, KEHONG BIO provides custom synthesis services for Homarylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.