1,3-苯并二氧戊环-5-甲胺
TL;DR: 1,3-苯并二氧戊环-5-甲胺 (CAS 2620-50-0) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-苯并二氧戊环-5-甲胺
1,3-benzodioxol-5-ylmethanamine
Also Known As: Piperonylamine, 1,3-Benzodioxole-5-methanamine, benzo[d][1,3]dioxol-5-ylmethanamine, 3,4-Methylenedioxybenzylamine, piperonyl amine
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 2620-50-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN |
| InChIKey | ZILSBZLQGRBMOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-苯并二氧戊环-5-甲胺 (CAS 2620-50-0), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethanamine.
Chemical Property Profile of 1,3-苯并二氧戊环-5-甲胺
Property Insights of 1,3-苯并二氧戊环-5-甲胺
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-苯并二氧戊环-5-甲胺. With a topological polar surface area (TPSA) of 44.5 Ų, 1,3-苯并二氧戊环-5-甲胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-苯并二氧戊环-5-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 1,3-苯并二氧戊环-5-甲胺?
The CAS number of 1,3-苯并二氧戊环-5-甲胺 is 2620-50-0.
What is the molecular formula of 1,3-苯并二氧戊环-5-甲胺?
The molecular formula of 1,3-苯并二氧戊环-5-甲胺 is C8H9NO2.
What is the molecular weight of 1,3-苯并二氧戊环-5-甲胺?
The molecular weight of 1,3-苯并二氧戊环-5-甲胺 is 151.06 g/mol.
Where can I buy 1,3-苯并二氧戊环-5-甲胺?
You can request a quote for 1,3-苯并二氧戊环-5-甲胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-苯并二氧戊环-5-甲胺?
Yes, KEHONG BIO provides custom synthesis services for 1,3-苯并二氧戊环-5-甲胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.