NCIStruc1_001308
TL;DR: NCIStruc1_001308 (CAS 136243-01-1) is a chemical compound with molecular formula C18H22N6O and molecular weight 338.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(3-aminophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Also Known As: NCIStruc1_001308, NCIStruc2_001034, NCI60_000237, VU0415569-1, 1,3,5-Triazine-2,4-diamine, 1-(3-((3-aminophenyl)methoxy)phenyl)-1,6-dihydro-6,6-dimethyl-
| Molecular Formula | C18H22N6O |
|---|---|
| Molecular Weight | 338.19 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.18552 |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 136243-01-1 |
|---|---|
| SMILES | CC1(N=C(N=C(N1C2=CC(=CC=C2)OCC3=CC(=CC=C3)N)N)N)C |
| InChIKey | JNYZYDBUKUVZSZ-UHFFFAOYSA-N |
Product Overview
NCIStruc1_001308 (CAS 136243-01-1), with molecular formula C18H22N6O and molecular weight 338.19 g/mol. IUPAC: 1-[3-[(3-aminophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of NCIStruc1_001308
Property Insights of NCIStruc1_001308
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIStruc1_001308. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIStruc1_001308. Following Lipinski's Rule of Five, NCIStruc1_001308 has 3 hydrogen bond donor(s) and 3 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_001308?
The CAS number of NCIStruc1_001308 is 136243-01-1.
What is the molecular formula of NCIStruc1_001308?
The molecular formula of NCIStruc1_001308 is C18H22N6O.
What is the molecular weight of NCIStruc1_001308?
The molecular weight of NCIStruc1_001308 is 338.19 g/mol.
Where can I buy NCIStruc1_001308?
You can request a quote for NCIStruc1_001308 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_001308?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_001308 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.