NCIOpen2_007792
TL;DR: NCIOpen2_007792 (CAS 1240-76-2) is a chemical compound with molecular formula C15H17Cl2N5O2 and molecular weight 369.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione
Also Known As: NCIOpen2_007792, 5-[(2E)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hy, 5-(2-{4-[bis(2-chloroethyl)amino]benzylidene}hydrazinyl)pyrimidine-2,4(1h,3h)-dione, 5-[2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione
| Molecular Formula | C15H17Cl2N5O2 |
|---|---|
| Molecular Weight | 369.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 369.07593 |
| Heavy Atoms | 24 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 1240-76-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NNC2=CNC(=O)NC2=O)N(CCCl)CCCl |
| InChIKey | OHVCDKPZSFASGV-UHFFFAOYSA-N |
Product Overview
NCIOpen2_007792 (CAS 1240-76-2), with molecular formula C15H17Cl2N5O2 and molecular weight 369.08 g/mol. IUPAC: 5-[2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of NCIOpen2_007792
Property Insights of NCIOpen2_007792
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_007792. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_007792. Following Lipinski's Rule of Five, NCIOpen2_007792 has 3 hydrogen bond donor(s) and 5 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 NCIOpen2_007792?
The CAS number of NCIOpen2_007792 is 1240-76-2.
What is the molecular formula of NCIOpen2_007792?
The molecular formula of NCIOpen2_007792 is C15H17Cl2N5O2.
What is the molecular weight of NCIOpen2_007792?
The molecular weight of NCIOpen2_007792 is 369.08 g/mol.
Where can I buy NCIOpen2_007792?
You can request a quote for NCIOpen2_007792 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007792?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007792 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.