![6-[Bis(2-chloroethyl)amino]chromen-2-one structure](/static/products/1044/10444-40-3.webp)
6-[Bis(2-chloroethyl)amino]chromen-2-one
TL;DR: 6-[Bis(2-chloroethyl)amino]chromen-2-one (CAS 10444-40-3) is a chemical compound with molecular formula C13H13Cl2NO2 and molecular weight 285.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[bis(2-chloroethyl)amino]chromen-2-one
Also Known As: COUMARIN N-MUSTARD, 6-[bis(2-chloroethyl)amino]chromen-2-one, CPP3-137-1, 6-[Bis(2-chloroethyl)amino]-2H-1-benzopyran-2-one
| Molecular Formula | C13H13Cl2NO2 |
|---|---|
| Molecular Weight | 285.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.03235 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 10444-40-3 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=O)O2)C=C1N(CCCl)CCCl |
| InChIKey | FLEKHUGWPMPRHJ-UHFFFAOYSA-N |
Product Overview
6-[Bis(2-chloroethyl)amino]chromen-2-one (CAS 10444-40-3), with molecular formula C13H13Cl2NO2 and molecular weight 285.03 g/mol. IUPAC: 6-[bis(2-chloroethyl)amino]chromen-2-one.
Chemical Property Profile of 6-[Bis(2-chloroethyl)amino]chromen-2-one
Property Insights of 6-[Bis(2-chloroethyl)amino]chromen-2-one
The XLogP value of 3.2 indicates that 6-[Bis(2-chloroethyl)amino]chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 6-[Bis(2-chloroethyl)amino]chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-[Bis(2-chloroethyl)amino]chromen-2-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 6-[Bis(2-chloroethyl)amino]chromen-2-one?
The CAS number of 6-[Bis(2-chloroethyl)amino]chromen-2-one is 10444-40-3.
What is the molecular formula of 6-[Bis(2-chloroethyl)amino]chromen-2-one?
The molecular formula of 6-[Bis(2-chloroethyl)amino]chromen-2-one is C13H13Cl2NO2.
What is the molecular weight of 6-[Bis(2-chloroethyl)amino]chromen-2-one?
The molecular weight of 6-[Bis(2-chloroethyl)amino]chromen-2-one is 285.03 g/mol.
Where can I buy 6-[Bis(2-chloroethyl)amino]chromen-2-one?
You can request a quote for 6-[Bis(2-chloroethyl)amino]chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[Bis(2-chloroethyl)amino]chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[Bis(2-chloroethyl)amino]chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.