![4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol structure](/static/products/5120/51209-73-5.webp)
4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol
TL;DR: 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol (CAS 51209-73-5) 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.
4-(1,3-benzodioxol-5-ylmethylideneamino)phenol
Also Known As: 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol, 4-(1,3-benzodioxol-5-ylmethylideneamino)phenol, 4-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]phenol, 4-(Benzo[1,3]dioxol-5-ylmethylideneamino)phenol, 4-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}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 | 299.0 |
Chemical Identifiers
| CAS Number | 51209-73-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NC3=CC=C(C=C3)O |
| InChIKey | QRGWVTWDYKRYGR-UHFFFAOYSA-N |
Product Overview
4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol (CAS 51209-73-5), with molecular formula C14H11NO3 and molecular weight 241.07 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethylideneamino)phenol.
Chemical Property Profile of 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol
Property Insights of 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol. With a topological polar surface area (TPSA) of 51.1 Ų, 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)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 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol?
The CAS number of 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol is 51209-73-5.
What is the molecular formula of 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol?
The molecular formula of 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol is C14H11NO3.
What is the molecular weight of 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol?
The molecular weight of 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol is 241.07 g/mol.
Where can I buy 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol?
You can request a quote for 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.