![3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one structure](/static/products/6956/69561-27-9.webp)
3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one
TL;DR: 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one (CAS 69561-27-9) is a chemical compound with molecular formula C19H19Cl2N3O2 and molecular weight 391.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one
Also Known As: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one, 3-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazo, 3-(3-{[Bis(2-chloroethyl)amino]methyl}-4-hydroxyphenyl)quinazolin-4(3H)-one, 4(3H)-QUINAZOLINONE,3-[3-[[BIS(2-CHLOROETHYL)AMINO]METHYL]-4-HYDROXYPHENYL]-
| Molecular Formula | C19H19Cl2N3O2 |
|---|---|
| Molecular Weight | 391.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.08542 |
| Heavy Atoms | 26 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 69561-27-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC(=C(C=C3)O)CN(CCCl)CCCl |
| InChIKey | INEZIADVQVHFMT-UHFFFAOYSA-N |
Product Overview
3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one (CAS 69561-27-9), with molecular formula C19H19Cl2N3O2 and molecular weight 391.09 g/mol. IUPAC: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one.
Chemical Property Profile of 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one
Property Insights of 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one
The XLogP value of 3.1 indicates that 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.1 Ų, 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one has 1 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 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one?
The CAS number of 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one is 69561-27-9.
What is the molecular formula of 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one?
The molecular formula of 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one is C19H19Cl2N3O2.
What is the molecular weight of 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one?
The molecular weight of 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one is 391.09 g/mol.
Where can I buy 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one?
You can request a quote for 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-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-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-[Bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.