NCI60_032279
TL;DR: NCI60_032279 (CAS 172797-74-9) is a chemical compound with molecular formula C22H26N6O5 and molecular weight 454.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3,5-dimethoxy-4-[3-(4-nitroanilino)propoxy]phenyl]methyl]pyrimidine-2,4-diamine
Also Known As: NCI60_032279, 5-[[3,5-dimethoxy-4-[3-(4-nitroanilino)propoxy]phenyl]methyl]pyrimidine-2,4-diamine, 5-({3,5-Dimethoxy-4-[3-(4-nitroanilino)propoxy]phenyl}methyl)pyrimidine-2,4-diamine, 5-[(3,5-dimethoxy-4-{3-[(4-nitrophenyl)amino]propoxy}phenyl)methyl]pyrimidine-2,4-diamine, 5-[[3,5-Dimethoxy-4-[3-[(4-nitrophenyl)amino]propoxy]phenyl]methyl]-2,4-pyrimidinediamine
| Molecular Formula | C22H26N6O5 |
|---|---|
| Molecular Weight | 454.20 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 454.19647 |
| Heavy Atoms | 33 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 172797-74-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OCCCNC2=CC=C(C=C2)[N+](=O)[O-])OC)CC3=CN=C(N=C3N)N |
| InChIKey | CNCZXJNXDKNYKA-UHFFFAOYSA-N |
Product Overview
NCI60_032279 (CAS 172797-74-9), with molecular formula C22H26N6O5 and molecular weight 454.20 g/mol. IUPAC: 5-[[3,5-dimethoxy-4-[3-(4-nitroanilino)propoxy]phenyl]methyl]pyrimidine-2,4-diamine.
Chemical Property Profile of NCI60_032279
Property Insights of NCI60_032279
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_032279. The TPSA of 163.0 Ų indicates high polarity, suggesting NCI60_032279 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_032279 has 3 hydrogen bond donor(s) and 10 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 NCI60_032279?
The CAS number of NCI60_032279 is 172797-74-9.
What is the molecular formula of NCI60_032279?
The molecular formula of NCI60_032279 is C22H26N6O5.
What is the molecular weight of NCI60_032279?
The molecular weight of NCI60_032279 is 454.20 g/mol.
Where can I buy NCI60_032279?
You can request a quote for NCI60_032279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_032279?
Yes, KEHONG BIO provides custom synthesis services for NCI60_032279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.