NCIOpen2_008882
TL;DR: NCIOpen2_008882 (CAS 7150-67-6) is a chemical compound with molecular formula C17H21Cl2N5O2 and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
Also Known As: NCIOpen2_008882, 6-(2-{4-[bis(2-chloroethyl)amino]benzylidene}hydrazinyl)-1,3-dimethylpyrimidine-2,4(1h,3h)-dione, 6-[(2Z)-2-[[4-[BIS(2-CHLOROETHYL)AMINO]PHENYL]METHYLIDENE]HYDRAZINYL]- 1,3-DIMETHYL-PYRIMIDINE-2,4-DIONE, 6-[2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
| Molecular Formula | C17H21Cl2N5O2 |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.10724 |
| Heavy Atoms | 26 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 7150-67-6 |
|---|---|
| SMILES | CN1C(=CC(=O)N(C1=O)C)NN=CC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | JQZDSZGPCLENPS-UHFFFAOYSA-N |
Product Overview
NCIOpen2_008882 (CAS 7150-67-6), with molecular formula C17H21Cl2N5O2 and molecular weight 397.11 g/mol. IUPAC: 6-[2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of NCIOpen2_008882
Property Insights of NCIOpen2_008882
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_008882. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_008882. Following Lipinski's Rule of Five, NCIOpen2_008882 has 1 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_008882?
The CAS number of NCIOpen2_008882 is 7150-67-6.
What is the molecular formula of NCIOpen2_008882?
The molecular formula of NCIOpen2_008882 is C17H21Cl2N5O2.
What is the molecular weight of NCIOpen2_008882?
The molecular weight of NCIOpen2_008882 is 397.11 g/mol.
Where can I buy NCIOpen2_008882?
You can request a quote for NCIOpen2_008882 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008882?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008882 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.