1,3-苯并二噁茂-5-甲醛肟
TL;DR: 1,3-苯并二噁茂-5-甲醛肟 (CAS 2089-36-3) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-苯并二噁茂-5-甲醛肟
N-(1,3-benzodioxol-5-ylmethylidene)hydroxylamine
Also Known As: Piperonal, oxime, Maybridge1_006833, Benzo[1,3]dioxole-5-carbaldehyde oxime, 3,4-Methylenedioxybenzaldehyde oxime, 1,3-Benzodioxole-5-carbaldehyde oxime
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 2089-36-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NO |
| InChIKey | VDAJDWUTRXNYMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-苯并二噁茂-5-甲醛肟 (CAS 2089-36-3), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethylidene)hydroxylamine.
Chemical Property Profile of 1,3-苯并二噁茂-5-甲醛肟
Property Insights of 1,3-苯并二噁茂-5-甲醛肟
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-苯并二噁茂-5-甲醛肟. With a topological polar surface area (TPSA) of 51.1 Ų, 1,3-苯并二噁茂-5-甲醛肟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-苯并二噁茂-5-甲醛肟 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 1,3-苯并二噁茂-5-甲醛肟?
The CAS number of 1,3-苯并二噁茂-5-甲醛肟 is 2089-36-3.
What is the molecular formula of 1,3-苯并二噁茂-5-甲醛肟?
The molecular formula of 1,3-苯并二噁茂-5-甲醛肟 is C8H7NO3.
What is the molecular weight of 1,3-苯并二噁茂-5-甲醛肟?
The molecular weight of 1,3-苯并二噁茂-5-甲醛肟 is 165.04 g/mol.
Where can I buy 1,3-苯并二噁茂-5-甲醛肟?
You can request a quote for 1,3-苯并二噁茂-5-甲醛肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-苯并二噁茂-5-甲醛肟?
Yes, KEHONG BIO provides custom synthesis services for 1,3-苯并二噁茂-5-甲醛肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.