Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime
TL;DR: Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime (CAS 102585-93-3) is a chemical compound with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-benzylideneamino] N-(1,3-benzodioxol-5-yl)carbamate
Also Known As: BENZALDEHYDE, O-((1,3-BENZODIOXOL-5-YL)CARBAMOYL)OXIME, 3,4-Methylenedioxycarbanilic acid, ester with benzaldehyde oxime, Benzaldehyde O-[(1,3-benzodioxol-5-yl)carbamoyl]oxime, (1,3-benzodioxol-5-ylamino)[(benzylideneamino)oxy]methanone, (phenylmethylidene)amino N-(2H-1,3-benzodioxol-5-yl)carbamate
| Molecular Formula | C15H12N2O4 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 2.9979 |
| Topological Polar Surface Area | 69.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0797 |
| Heavy Atoms | 21 |
| Complexity | 670.6288 |
Chemical Identifiers
| CAS Number | 102585-93-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)O/N=C/C3=CC=CC=C3 |
Product Overview
Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime (CAS 102585-93-3), with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol. IUPAC: [(E)-benzylideneamino] N-(1,3-benzodioxol-5-yl)carbamate.
Chemical Property Profile of Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime
Property Insights of Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime
The XLogP value of 2.9979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime. The TPSA of 69.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime. Following Lipinski's Rule of Five, Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime has 1 hydrogen bond donor(s) and 5 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 Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
The CAS number of Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime is 102585-93-3.
What is the molecular formula of Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
The molecular formula of Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime is C15H12N2O4.
What is the molecular weight of Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
The molecular weight of Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime is 284.08 g/mol.
Where can I buy Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
You can request a quote for Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for Benzaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.