2,3-二氢-1,4-苯并二噁英-6-甲胺
TL;DR: 2,3-二氢-1,4-苯并二噁英-6-甲胺 (CAS 17413-10-4) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-二氢-1,4-苯并二噁英-6-甲胺
2,3-dihydro-1,4-benzodioxin-6-ylmethanamine
Also Known As: (2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methanamine, 2,3-Dihydro-1,4-benzodioxin-6-ylmethylamine, 3,4-Ethylenedioxybenzylamine, 1,4-benzodioxin-6-methanamine, 2,3-dihydro-, 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 17413-10-4 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)CN |
| InChIKey | FUDYRLUSXBRPIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-二氢-1,4-苯并二噁英-6-甲胺 (CAS 17413-10-4), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine.
Chemical Property Profile of 2,3-二氢-1,4-苯并二噁英-6-甲胺
Property Insights of 2,3-二氢-1,4-苯并二噁英-6-甲胺
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-二氢-1,4-苯并二噁英-6-甲胺. With a topological polar surface area (TPSA) of 44.5 Ų, 2,3-二氢-1,4-苯并二噁英-6-甲胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-二氢-1,4-苯并二噁英-6-甲胺 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 2,3-二氢-1,4-苯并二噁英-6-甲胺?
The CAS number of 2,3-二氢-1,4-苯并二噁英-6-甲胺 is 17413-10-4.
What is the molecular formula of 2,3-二氢-1,4-苯并二噁英-6-甲胺?
The molecular formula of 2,3-二氢-1,4-苯并二噁英-6-甲胺 is C9H11NO2.
What is the molecular weight of 2,3-二氢-1,4-苯并二噁英-6-甲胺?
The molecular weight of 2,3-二氢-1,4-苯并二噁英-6-甲胺 is 165.08 g/mol.
Where can I buy 2,3-二氢-1,4-苯并二噁英-6-甲胺?
You can request a quote for 2,3-二氢-1,4-苯并二噁英-6-甲胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-二氢-1,4-苯并二噁英-6-甲胺?
Yes, KEHONG BIO provides custom synthesis services for 2,3-二氢-1,4-苯并二噁英-6-甲胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.