1,3-苯并二氧戊环-4,5-二胺
TL;DR: 1,3-苯并二氧戊环-4,5-二胺 (CAS 500862-27-1) is a chemical compound with molecular formula C7H8N2O2 and molecular weight 152.06 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-4,5-二胺
1,3-benzodioxole-4,5-diamine
Also Known As: 1,3-benzodioxole-4,5-diamine, 3,4-methylenedioxy-o-phenylenediamine, Pyrazine, 2-(1-butylpentyl)-3-phenoxy-, 2H-1,3-BENZODIOXOLE-4,5-DIAMINE
| Molecular Formula | C7H8N2O2 |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.05858 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 500862-27-1 |
|---|---|
| SMILES | C1OC2=C(O1)C(=C(C=C2)N)N |
| InChIKey | WZXFIDXRXIOGTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-苯并二氧戊环-4,5-二胺 (CAS 500862-27-1), with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol. IUPAC: 1,3-benzodioxole-4,5-diamine.
Chemical Property Profile of 1,3-苯并二氧戊环-4,5-二胺
Property Insights of 1,3-苯并二氧戊环-4,5-二胺
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-苯并二氧戊环-4,5-二胺. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-苯并二氧戊环-4,5-二胺. Following Lipinski's Rule of Five, 1,3-苯并二氧戊环-4,5-二胺 has 2 hydrogen bond donor(s) and 4 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-4,5-二胺?
The CAS number of 1,3-苯并二氧戊环-4,5-二胺 is 500862-27-1.
What is the molecular formula of 1,3-苯并二氧戊环-4,5-二胺?
The molecular formula of 1,3-苯并二氧戊环-4,5-二胺 is C7H8N2O2.
What is the molecular weight of 1,3-苯并二氧戊环-4,5-二胺?
The molecular weight of 1,3-苯并二氧戊环-4,5-二胺 is 152.06 g/mol.
Where can I buy 1,3-苯并二氧戊环-4,5-二胺?
You can request a quote for 1,3-苯并二氧戊环-4,5-二胺 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-4,5-二胺?
Yes, KEHONG BIO provides custom synthesis services for 1,3-苯并二氧戊环-4,5-二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.