(2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one
TL;DR: (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one (CAS 21916-15-4) is a chemical compound with molecular formula C11H9ClO and molecular weight 192.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(chloromethylidene)-3,4-dihydronaphthalen-1-one
Also Known As: 2-Chlormethylen-alpha-tetralon, (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one, (2E)-2-(chloromethylidene)-3,4-dihydronaphthalen-1-one, 1(2H)-naphthalenone, 2-(chloromethylene)-3,4-dihydro-, (2E)-, InChI=1/C11H9ClO/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-4,7H,5-6H2/b9-7
| Molecular Formula | C11H9ClO |
|---|---|
| Molecular Weight | 192.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.0342 |
| Heavy Atoms | 13 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 21916-15-4 |
|---|---|
| SMILES | C1C/C(=C\Cl)/C(=O)C2=CC=CC=C21 |
| InChIKey | BVQJWDMULGDRES-VQHVLOKHSA-N |
Product Overview
(2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one (CAS 21916-15-4), with molecular formula C11H9ClO and molecular weight 192.03 g/mol. IUPAC: (2E)-2-(chloromethylidene)-3,4-dihydronaphthalen-1-one.
Chemical Property Profile of (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one
Property Insights of (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one. With a topological polar surface area (TPSA) of 17.1 Ų, (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one has 0 hydrogen bond donor(s) and 1 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 (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one?
The CAS number of (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one is 21916-15-4.
What is the molecular formula of (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one?
The molecular formula of (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one is C11H9ClO.
What is the molecular weight of (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one?
The molecular weight of (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one is 192.03 g/mol.
Where can I buy (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one?
You can request a quote for (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(chloromethylene)-3,4-dihydronaphthalen-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.