![2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol structure](/static/products/6072/60729-78-4.webp)
2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol
TL;DR: 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol (CAS 60729-78-4) is a chemical compound with molecular formula C14H11NO3 and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylideneamino)phenol
Also Known As: 2-(PIPERONYLIDENEAMINO)PHENOL, 2-(1,3-benzodioxol-5-ylmethylideneamino)phenol, 2,4-Imidazolidinedione,5-(hydroxyamino), J1.058.420E, 2-(1,3-Benzodioxole-5-ylmethyleneamino)phenol
| Molecular Formula | C14H11NO3 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.0739 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 60729-78-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NC3=CC=CC=C3O |
| InChIKey | BQRPHDGQSWTHRV-UHFFFAOYSA-N |
Product Overview
2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol (CAS 60729-78-4), with molecular formula C14H11NO3 and molecular weight 241.07 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylideneamino)phenol.
Chemical Property Profile of 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol
Property Insights of 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol. With a topological polar surface area (TPSA) of 51.1 Ų, 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol has 1 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-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol?
The CAS number of 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol is 60729-78-4.
What is the molecular formula of 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol?
The molecular formula of 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol is C14H11NO3.
What is the molecular weight of 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol?
The molecular weight of 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol is 241.07 g/mol.
Where can I buy 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol?
You can request a quote for 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.