NCIOpen2_007712
TL;DR: NCIOpen2_007712 (CAS 1102-18-7) is a chemical compound with molecular formula C16H17Cl2N5O3 and molecular weight 397.07 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]-2,4-dioxo-1H-pyrimidine-6-carboxamide
Also Known As: NCIOpen2_007712, N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2,4-, 4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-,2-[[4-[bis(2-chloroethyl)amino]phenyl]methylene]hydrazide, N'-({4-[Bis(2-chloroethyl)amino]phenyl}methylidene)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbohydrazide, N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
| Molecular Formula | C16H17Cl2N5O3 |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.07083 |
| Heavy Atoms | 26 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 1102-18-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NNC(=O)C2=CC(=O)NC(=O)N2)N(CCCl)CCCl |
| InChIKey | SXLLQTNEITYMMY-UHFFFAOYSA-N |
Product Overview
NCIOpen2_007712 (CAS 1102-18-7), with molecular formula C16H17Cl2N5O3 and molecular weight 397.07 g/mol. IUPAC: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
Chemical Property Profile of NCIOpen2_007712
Property Insights of NCIOpen2_007712
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_007712. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_007712. Following Lipinski's Rule of Five, NCIOpen2_007712 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_007712?
The CAS number of NCIOpen2_007712 is 1102-18-7.
What is the molecular formula of NCIOpen2_007712?
The molecular formula of NCIOpen2_007712 is C16H17Cl2N5O3.
What is the molecular weight of NCIOpen2_007712?
The molecular weight of NCIOpen2_007712 is 397.07 g/mol.
Where can I buy NCIOpen2_007712?
You can request a quote for NCIOpen2_007712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007712?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.