NCIOpen2_009889
TL;DR: NCIOpen2_009889 (CAS 3217-65-0) is a chemical compound with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[4-[4-(dimethylaminomethylideneamino)phenyl]sulfonylphenyl]-N,N-dimethylmethanimidamide
Also Known As: NCIOpen2_009889, 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethanol, AH-262/34230057, N'-[4-[4-(dimethylaminomethylideneamino)phenyl]sulfonylphenyl]-N,N-dimethylmethanimidamide, n',n'''-(sulfonyldi-4,1-phenylene)bis[n,n-dimethyl(imidoformamide)]
| Molecular Formula | C18H22N4O2S |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 73.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.14636 |
| Heavy Atoms | 25 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 3217-65-0 |
|---|---|
| SMILES | CN(C)C=NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N=CN(C)C |
| InChIKey | XTFUZNKOLZFZEW-UHFFFAOYSA-N |
Product Overview
NCIOpen2_009889 (CAS 3217-65-0), with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol. IUPAC: N'-[4-[4-(dimethylaminomethylideneamino)phenyl]sulfonylphenyl]-N,N-dimethylmethanimidamide.
Chemical Property Profile of NCIOpen2_009889
Property Insights of NCIOpen2_009889
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_009889. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_009889. Following Lipinski's Rule of Five, NCIOpen2_009889 has 0 hydrogen bond donor(s) and 4 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_009889?
The CAS number of NCIOpen2_009889 is 3217-65-0.
What is the molecular formula of NCIOpen2_009889?
The molecular formula of NCIOpen2_009889 is C18H22N4O2S.
What is the molecular weight of NCIOpen2_009889?
The molecular weight of NCIOpen2_009889 is 358.15 g/mol.
Where can I buy NCIOpen2_009889?
You can request a quote for NCIOpen2_009889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_009889?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_009889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.