NCIStruc1_001348
TL;DR: NCIStruc1_001348 (CAS 19157-99-4) is a chemical compound with molecular formula C18H20N6O3 and molecular weight 368.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-1-[3-[(3-nitrophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
Also Known As: NCIStruc1_001348, NCIStruc2_001725, NCI60_000238, 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-((3-nitrophenyl)methoxy)phenyl)-, 6,6-dimethyl-1-[3-[(3-nitrophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
| Molecular Formula | C18H20N6O3 |
|---|---|
| Molecular Weight | 368.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.1597 |
| Heavy Atoms | 27 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 19157-99-4 |
|---|---|
| SMILES | CC1(N=C(N=C(N1C2=CC(=CC=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])N)N)C |
| InChIKey | BTWFUYJHQBHKNS-UHFFFAOYSA-N |
Product Overview
NCIStruc1_001348 (CAS 19157-99-4), with molecular formula C18H20N6O3 and molecular weight 368.16 g/mol. IUPAC: 6,6-dimethyl-1-[3-[(3-nitrophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of NCIStruc1_001348
Property Insights of NCIStruc1_001348
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIStruc1_001348. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIStruc1_001348. Following Lipinski's Rule of Five, NCIStruc1_001348 has 2 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 NCIStruc1_001348?
The CAS number of NCIStruc1_001348 is 19157-99-4.
What is the molecular formula of NCIStruc1_001348?
The molecular formula of NCIStruc1_001348 is C18H20N6O3.
What is the molecular weight of NCIStruc1_001348?
The molecular weight of NCIStruc1_001348 is 368.16 g/mol.
Where can I buy NCIStruc1_001348?
You can request a quote for NCIStruc1_001348 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_001348?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_001348 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.