1,3-Benzodioxole-5-carbaldehyde semicarbazone
TL;DR: 1,3-Benzodioxole-5-carbaldehyde semicarbazone (CAS 20280-22-2) is a chemical compound with molecular formula C9H9N3O3 and molecular weight 207.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1,3-benzodioxol-5-ylmethylideneamino]urea
Also Known As: JoCf@BXPZzSNlkZiv{TpAEDBAH, 1,3-Benzodioxole-5-carbaldehyde semicarbazone, [(E)-1,3-benzodioxol-5-ylmethylideneamino]urea, 3,4-methylenedioxybenzaldehyde semicarbazone, 1-(3,4-Methylenedioxybenzylidene)semicarbazide
| Molecular Formula | C9H9N3O3 |
|---|---|
| Molecular Weight | 207.06 g/mol |
| LogP | 0.4175 |
| Topological Polar Surface Area | 85.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.06439 |
| Heavy Atoms | 15 |
| Complexity | 417.06363 |
Chemical Identifiers
| CAS Number | 20280-22-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)N |
Product Overview
1,3-Benzodioxole-5-carbaldehyde semicarbazone (CAS 20280-22-2), with molecular formula C9H9N3O3 and molecular weight 207.06 g/mol. IUPAC: [(E)-1,3-benzodioxol-5-ylmethylideneamino]urea.
Chemical Property Profile of 1,3-Benzodioxole-5-carbaldehyde semicarbazone
Property Insights of 1,3-Benzodioxole-5-carbaldehyde semicarbazone
The XLogP value of 0.4175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-carbaldehyde semicarbazone. The TPSA of 85.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole-5-carbaldehyde semicarbazone. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-carbaldehyde semicarbazone 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-Benzodioxole-5-carbaldehyde semicarbazone?
The CAS number of 1,3-Benzodioxole-5-carbaldehyde semicarbazone is 20280-22-2.
What is the molecular formula of 1,3-Benzodioxole-5-carbaldehyde semicarbazone?
The molecular formula of 1,3-Benzodioxole-5-carbaldehyde semicarbazone is C9H9N3O3.
What is the molecular weight of 1,3-Benzodioxole-5-carbaldehyde semicarbazone?
The molecular weight of 1,3-Benzodioxole-5-carbaldehyde semicarbazone is 207.06 g/mol.
Where can I buy 1,3-Benzodioxole-5-carbaldehyde semicarbazone?
You can request a quote for 1,3-Benzodioxole-5-carbaldehyde semicarbazone 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-carbaldehyde semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-carbaldehyde semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.