2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine
TL;DR: 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine (CAS 86044-59-9) is a chemical compound with molecular formula C9H10N4O2 and molecular weight 206.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylideneamino)guanidine
Also Known As: 2-hydroxypropanoic acid, NCIOpen2_003117, 2-(1,3-benzodioxol-5-ylmethylideneamino)guanidine
| Molecular Formula | C9H10N4O2 |
|---|---|
| Molecular Weight | 206.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.08037 |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 86044-59-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NN=C(N)N |
| InChIKey | FVNHMHIVPIUGPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine (CAS 86044-59-9), with molecular formula C9H10N4O2 and molecular weight 206.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylideneamino)guanidine.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine
Property Insights of 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine 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 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine?
The CAS number of 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine is 86044-59-9.
What is the molecular formula of 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine?
The molecular formula of 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine is C9H10N4O2.
What is the molecular weight of 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine?
The molecular weight of 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine is 206.08 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine?
You can request a quote for 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine 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-ylmethylideneamino)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-ylmethylideneamino)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.