![3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one structure](/static/products/6956/69561-49-5.webp)
3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one
TL;DR: 3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one (CAS 69561-49-5) is a chemical compound with molecular formula C14H17Cl2N3O and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[bis(2-chloroethyl)amino]ethyl]quinazolin-4-one
Also Known As: 3-[2-[bis(2-chloroethyl)amino]ethyl]quinazolin-4-one, 3-{2-[Bis(2-chloroethyl)amino]ethyl}quinazolin-4(3H)-one, 4(3H)-Quinazolinone, 3-[2-[bis(2-chloroethyl)amino]ethyl]-
| Molecular Formula | C14H17Cl2N3O |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.07486 |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 69561-49-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C=N2)CCN(CCCl)CCCl |
| InChIKey | UMMCRXOCXZCHIO-UHFFFAOYSA-N |
Product Overview
3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one (CAS 69561-49-5), with molecular formula C14H17Cl2N3O and molecular weight 313.07 g/mol. IUPAC: 3-[2-[bis(2-chloroethyl)amino]ethyl]quinazolin-4-one.
Chemical Property Profile of 3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one
Property Insights of 3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one. With a topological polar surface area (TPSA) of 35.9 Ų, 3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-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-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one?
The CAS number of 3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one is 69561-49-5.
What is the molecular formula of 3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one?
The molecular formula of 3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one is C14H17Cl2N3O.
What is the molecular weight of 3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one?
The molecular weight of 3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one is 313.07 g/mol.
Where can I buy 3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one?
You can request a quote for 3-[2-[Bis(2-chloroethyl)amino]ethyl]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-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-[Bis(2-chloroethyl)amino]ethyl]quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.