![7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one structure](/static/products/6768/67684-86-0.webp)
7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one
TL;DR: 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one (CAS 67684-86-0) is a chemical compound with molecular formula C16H19Cl2NO3 and molecular weight 343.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one
Also Known As: 7-[bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one, 7-[bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-, 7-{[Bis(2-chloroethyl)amino]methyl}-5-methoxy-4-methyl-2H-1-benzopyran-2-one
| Molecular Formula | C16H19Cl2NO3 |
|---|---|
| Molecular Weight | 343.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.0742 |
| Heavy Atoms | 22 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 67684-86-0 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C(=CC(=C2)CN(CCCl)CCCl)OC |
| InChIKey | FMMNNYNVGCECSF-UHFFFAOYSA-N |
Product Overview
7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one (CAS 67684-86-0), with molecular formula C16H19Cl2NO3 and molecular weight 343.07 g/mol. IUPAC: 7-[bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one.
Chemical Property Profile of 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one
Property Insights of 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one. With a topological polar surface area (TPSA) of 38.8 Ų, 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-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 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one?
The CAS number of 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one is 67684-86-0.
What is the molecular formula of 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one?
The molecular formula of 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one is C16H19Cl2NO3.
What is the molecular weight of 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one?
The molecular weight of 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one is 343.07 g/mol.
Where can I buy 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one?
You can request a quote for 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-[Bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.