![3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one structure](/static/products/6778/67780-98-7.webp)
3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one
TL;DR: 3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one (CAS 67780-98-7) is a chemical compound with molecular formula C14H15Cl2NO2 and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)aminomethylidene]chromen-4-one
Also Known As: 3-[bis(2-chloroethyl)aminomethylidene]chromen-4-one, (3E)-3-[bis(2-chloroethyl)aminomethylidene]chromen-4-one
| Molecular Formula | C14H15Cl2NO2 |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.04797 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 67780-98-7 |
|---|---|
| SMILES | C1C(=CN(CCCl)CCCl)C(=O)C2=CC=CC=C2O1 |
| InChIKey | COKVWJDPPRXIAO-UHFFFAOYSA-N |
Product Overview
3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one (CAS 67780-98-7), with molecular formula C14H15Cl2NO2 and molecular weight 299.05 g/mol. IUPAC: 3-[bis(2-chloroethyl)aminomethylidene]chromen-4-one.
Chemical Property Profile of 3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one
Property Insights of 3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one. With a topological polar surface area (TPSA) of 29.5 Ų, 3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one has 0 hydrogen bond donor(s) and 3 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]chromen-4-one?
The CAS number of 3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one is 67780-98-7.
What is the molecular formula of 3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one?
The molecular formula of 3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one is C14H15Cl2NO2.
What is the molecular weight of 3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one?
The molecular weight of 3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one is 299.05 g/mol.
Where can I buy 3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one?
You can request a quote for 3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-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]chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[Bis(2-chloroethyl)aminomethylidene]chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.