![3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one structure](/static/products/6778/67781-01-5.webp)
3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one
TL;DR: 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one (CAS 67781-01-5) is a chemical compound with molecular formula C12H17Cl2NO and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one
Also Known As: (2Z)-2-[bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]hep, 2-[bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-3-one
| Molecular Formula | C12H17Cl2NO |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.06873 |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 67781-01-5 |
|---|---|
| SMILES | C1CC2CC1C(=CN(CCCl)CCCl)C2=O |
| InChIKey | YANJVFAJQMJSND-UHFFFAOYSA-N |
Product Overview
3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one (CAS 67781-01-5), with molecular formula C12H17Cl2NO and molecular weight 261.07 g/mol. IUPAC: 3-[bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one.
Chemical Property Profile of 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one
Property Insights of 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one. With a topological polar surface area (TPSA) of 20.3 Ų, 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-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 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one?
The CAS number of 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one is 67781-01-5.
What is the molecular formula of 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one?
The molecular formula of 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one is C12H17Cl2NO.
What is the molecular weight of 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one?
The molecular weight of 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one is 261.07 g/mol.
Where can I buy 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one?
You can request a quote for 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[Bis(2-chloroethyl)aminomethylidene]bicyclo[2.2.1]heptan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.