NCI60_003457
TL;DR: NCI60_003457 (CAS 87287-51-2) is a chemical compound with molecular formula C18H13N5O2S and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-(4-nitrophenyl)diazene
Also Known As: NCI60_003457, 6-((4-(Hydroxy(oxido)amino)phenyl)diazenyl)-5-methyl-3-phenylimidazo(2,1-b)(1,3)thiazole, (5-methyl-3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-(4-nitrophenyl)diazene, (5-methyl-3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-(4-nitrop, 5-Methyl-6-[2-(4-nitrophenyl)diazenyl]-3-phenylimidazo[2,1-b]thiazole
| Molecular Formula | C18H13N5O2S |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.079 |
| Heavy Atoms | 26 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 87287-51-2 |
|---|---|
| SMILES | CC1=C(N=C2N1C(=CS2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | KFYKXFZNZAHSDY-UHFFFAOYSA-N |
Product Overview
NCI60_003457 (CAS 87287-51-2), with molecular formula C18H13N5O2S and molecular weight 363.08 g/mol. IUPAC: (5-methyl-3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-(4-nitrophenyl)diazene.
Chemical Property Profile of NCI60_003457
Property Insights of NCI60_003457
The XLogP value of 5.9 indicates that NCI60_003457 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_003457. Following Lipinski's Rule of Five, NCI60_003457 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_003457?
The CAS number of NCI60_003457 is 87287-51-2.
What is the molecular formula of NCI60_003457?
The molecular formula of NCI60_003457 is C18H13N5O2S.
What is the molecular weight of NCI60_003457?
The molecular weight of NCI60_003457 is 363.08 g/mol.
Where can I buy NCI60_003457?
You can request a quote for NCI60_003457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003457?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.