2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime
TL;DR: 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime (CAS 72806-47-4) is a chemical compound with molecular formula C13H10ClNO and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-3-naphthalen-2-ylprop-2-enylidene)hydroxylamine
Also Known As: 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime, 3-chloro-3-(2-naphthyl)propenal oxime, N-(3-chloro-3-naphthalen-2-ylprop-2-enylidene)hydroxylamine, N-[3-CHLORO-3-(NAPHTHALEN-2-YL)PROP-2-EN-1-YLIDENE]HYDROXYLAMINE, RefChem:266186
| Molecular Formula | C13H10ClNO |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.04509 |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 72806-47-4 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=CC=NO)Cl |
| InChIKey | LAFLNYWWDBBRRG-UHFFFAOYSA-N |
Product Overview
2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime (CAS 72806-47-4), with molecular formula C13H10ClNO and molecular weight 231.05 g/mol. IUPAC: N-(3-chloro-3-naphthalen-2-ylprop-2-enylidene)hydroxylamine.
Chemical Property Profile of 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime
Property Insights of 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime
The XLogP value of 3.7 indicates that 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.6 Ų, 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime has 1 hydrogen bond donor(s) and 2 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-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime?
The CAS number of 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime is 72806-47-4.
What is the molecular formula of 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime?
The molecular formula of 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime is C13H10ClNO.
What is the molecular weight of 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime?
The molecular weight of 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime is 231.05 g/mol.
Where can I buy 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime?
You can request a quote for 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.