![4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one structure](/static/products/6742/67428-63-1.webp)
4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one
TL;DR: 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one (CAS 67428-63-1) is a chemical compound with molecular formula C19H19Cl2NO3 and molecular weight 379.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)aminomethyl]-3-methoxyxanthen-9-one
Also Known As: 4-[bis(2-chloroethyl)aminomethyl]-3-methoxyxanthen-9-one, 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one, 4-[Bis(2-chloroethyl)aminomethyl]-3-methoxy-xanthen-9-one
| Molecular Formula | C19H19Cl2NO3 |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.0742 |
| Heavy Atoms | 25 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 67428-63-1 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3O2)CN(CCCl)CCCl |
| InChIKey | MEQVVKTYZWRGBS-UHFFFAOYSA-N |
Product Overview
4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one (CAS 67428-63-1), with molecular formula C19H19Cl2NO3 and molecular weight 379.07 g/mol. IUPAC: 4-[bis(2-chloroethyl)aminomethyl]-3-methoxyxanthen-9-one.
Chemical Property Profile of 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one
Property Insights of 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one
The XLogP value of 4.0 indicates that 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one has 0 hydrogen bond donor(s) and 4 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 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one?
The CAS number of 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one is 67428-63-1.
What is the molecular formula of 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one?
The molecular formula of 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one is C19H19Cl2NO3.
What is the molecular weight of 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one?
The molecular weight of 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one is 379.07 g/mol.
Where can I buy 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one?
You can request a quote for 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{[Bis(2-chloroethyl)amino]methyl}-3-methoxy-9H-xanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.