![2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one structure](/static/products/6778/67780-99-8.webp)
2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one
TL;DR: 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one (CAS 67780-99-8) is a chemical compound with molecular formula C15H17Cl2NO and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one
Also Known As: (2E)-2-[bis(2-chloroethyl)aminomethylidene]-3,4-dihydronapht, 2-[bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one
| Molecular Formula | C15H17Cl2NO |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.06873 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 67780-99-8 |
|---|---|
| SMILES | C1CC(=CN(CCCl)CCCl)C(=O)C2=CC=CC=C21 |
| InChIKey | LNHIVMAEGWDENI-UHFFFAOYSA-N |
Product Overview
2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one (CAS 67780-99-8), with molecular formula C15H17Cl2NO and molecular weight 297.07 g/mol. IUPAC: 2-[bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one.
Chemical Property Profile of 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one
Property Insights of 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one
The XLogP value of 3.5 indicates that 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one has 0 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-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one?
The CAS number of 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one is 67780-99-8.
What is the molecular formula of 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one?
The molecular formula of 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one is C15H17Cl2NO.
What is the molecular weight of 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one?
The molecular weight of 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one is 297.07 g/mol.
Where can I buy 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one?
You can request a quote for 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[Bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.