NCI60_041759
TL;DR: NCI60_041759 (CAS 14522-20-4) is a chemical compound with molecular formula C22H21Cl2N3O4 and molecular weight 461.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide
Also Known As: NCI60_041759, N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-, N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide, 2H-1-Benzopyran-4-aceticacid, 7-hydroxy-2-oxo-,2-[[4-[bis(2-chloroethyl)amino]phenyl]methylene]hydrazide, N-({4-[Bis(2-chloroethyl)amino]phenyl}methylidene)(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)ethanehydrazonic acid
| Molecular Formula | C22H21Cl2N3O4 |
|---|---|
| Molecular Weight | 461.09 g/mol |
| LogP | 3.4754 |
| Topological Polar Surface Area | 95.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.0909 |
| Heavy Atoms | 31 |
| Complexity | 1123.7993 |
Chemical Identifiers
| CAS Number | 14522-20-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NNC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O)N(CCCl)CCCl |
Product Overview
NCI60_041759 (CAS 14522-20-4), with molecular formula C22H21Cl2N3O4 and molecular weight 461.09 g/mol. IUPAC: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide.
Chemical Property Profile of NCI60_041759
Property Insights of NCI60_041759
The XLogP value of 3.4754 indicates that NCI60_041759 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.14 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_041759. Following Lipinski's Rule of Five, NCI60_041759 has 2 hydrogen bond donor(s) and 6 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 NCI60_041759?
The CAS number of NCI60_041759 is 14522-20-4.
What is the molecular formula of NCI60_041759?
The molecular formula of NCI60_041759 is C22H21Cl2N3O4.
What is the molecular weight of NCI60_041759?
The molecular weight of NCI60_041759 is 461.09 g/mol.
Where can I buy NCI60_041759?
You can request a quote for NCI60_041759 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_041759?
Yes, KEHONG BIO provides custom synthesis services for NCI60_041759 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.