2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine
TL;DR: 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine (CAS 93070-64-5) is a chemical compound with molecular formula C9H10N4O4 and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethyl)-1-nitroguanidine
Also Known As: 2-(1,3-benzodioxol-5-ylmethyl)-1-nitroguanidine, Guanidine,3-benzodioxol-5-ylmethyl)-N'-nitro-, N''-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-nitroguanidine
| Molecular Formula | C9H10N4O4 |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.0702 |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 93070-64-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN=C(N)N[N+](=O)[O-] |
| InChIKey | HULOFNWEHLIENT-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine (CAS 93070-64-5), with molecular formula C9H10N4O4 and molecular weight 238.07 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethyl)-1-nitroguanidine.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine
Property Insights of 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine has 2 hydrogen bond donor(s) and 5 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-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine?
The CAS number of 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine is 93070-64-5.
What is the molecular formula of 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine?
The molecular formula of 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine is C9H10N4O4.
What is the molecular weight of 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine?
The molecular weight of 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine is 238.07 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine?
You can request a quote for 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-ylmethyl)-1-nitroguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.