1,3-Benzodioxole-5-carboximidamide
TL;DR: 1,3-Benzodioxole-5-carboximidamide (CAS 4720-71-2) is a chemical compound with molecular formula C8H8N2O2 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxole-5-carboximidamide
Also Known As: 1,3-benzodioxole-5-carboximidamide, BENZO[1,3]DIOXOLE-5-CARBOXAMIDINE, 1,3-dioxaindane-5-carboximidamide, 1H-2-Benzopyran-4-ol, Benzo[d][1,3]dioxole-5-carboximidamide
| Molecular Formula | C8H8N2O2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 0.69937 |
| Topological Polar Surface Area | 68.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.05858 |
| Heavy Atoms | 12 |
| Complexity | 335.82977 |
Chemical Identifiers
| CAS Number | 4720-71-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=N)N |
Product Overview
1,3-Benzodioxole-5-carboximidamide (CAS 4720-71-2), with molecular formula C8H8N2O2 and molecular weight 164.06 g/mol. IUPAC: 1,3-benzodioxole-5-carboximidamide.
Chemical Property Profile of 1,3-Benzodioxole-5-carboximidamide
Property Insights of 1,3-Benzodioxole-5-carboximidamide
The XLogP value of 0.69937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-carboximidamide. The TPSA of 68.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole-5-carboximidamide. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-carboximidamide has 2 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-Benzodioxole-5-carboximidamide?
The CAS number of 1,3-Benzodioxole-5-carboximidamide is 4720-71-2.
What is the molecular formula of 1,3-Benzodioxole-5-carboximidamide?
The molecular formula of 1,3-Benzodioxole-5-carboximidamide is C8H8N2O2.
What is the molecular weight of 1,3-Benzodioxole-5-carboximidamide?
The molecular weight of 1,3-Benzodioxole-5-carboximidamide is 164.06 g/mol.
Where can I buy 1,3-Benzodioxole-5-carboximidamide?
You can request a quote for 1,3-Benzodioxole-5-carboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-carboximidamide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-carboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.