NCI60_001785
TL;DR: NCI60_001785 (CAS 17005-35-5) is a chemical compound with molecular formula C22H23N5O2 and molecular weight 389.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(4-nitrophenyl)ethenyl]-5-(4-phenylbutyl)pyrimidine-2,4-diamine
Also Known As: NCI60_001785, 6-[(E)-2-(4-nitrophenyl)ethenyl]-5-(4-phenylbutyl)pyrimidine, Pyrimidine, 2,4-diamino-6-(p-nitrostyryl)-5-(4-phenylbutyl)-, 2,4-Pyrimidinediamine, 6-[2-(4-nitrophenyl)ethenyl]-5-(4-phenylbutyl)-, 6-[2-(4-Nitrophenyl)ethenyl]-5-(4-phenylbutyl)-2,4-pyrimidinediamine
| Molecular Formula | C22H23N5O2 |
|---|---|
| Molecular Weight | 389.19 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.18518 |
| Heavy Atoms | 29 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 17005-35-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)C=CC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | FHQIBAKBLAPNEL-UHFFFAOYSA-N |
Product Overview
NCI60_001785 (CAS 17005-35-5), with molecular formula C22H23N5O2 and molecular weight 389.19 g/mol. IUPAC: 6-[2-(4-nitrophenyl)ethenyl]-5-(4-phenylbutyl)pyrimidine-2,4-diamine.
Chemical Property Profile of NCI60_001785
Property Insights of NCI60_001785
The XLogP value of 4.9 indicates that NCI60_001785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_001785. Following Lipinski's Rule of Five, NCI60_001785 has 2 hydrogen bond donor(s) and 6 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_001785?
The CAS number of NCI60_001785 is 17005-35-5.
What is the molecular formula of NCI60_001785?
The molecular formula of NCI60_001785 is C22H23N5O2.
What is the molecular weight of NCI60_001785?
The molecular weight of NCI60_001785 is 389.19 g/mol.
Where can I buy NCI60_001785?
You can request a quote for NCI60_001785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_001785?
Yes, KEHONG BIO provides custom synthesis services for NCI60_001785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.