NCI60_033445
TL;DR: NCI60_033445 (CAS 101721-59-9) is a chemical compound with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-nitrophenyl)thiourea
Also Known As: NCI60_033445, 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(4-nitrophenyl)thiourea, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-(4-nitrophenyl)thiourea, 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-nitrophenyl)thiourea, 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4-nitrophenyl)thiourea
| Molecular Formula | C18H17N5O3S |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 3.20152 |
| Topological Polar Surface Area | 94.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.10522 |
| Heavy Atoms | 27 |
| Complexity | 1055.0963 |
Chemical Identifiers
| CAS Number | 101721-59-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
NCI60_033445 (CAS 101721-59-9), with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol. IUPAC: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-nitrophenyl)thiourea.
Chemical Property Profile of NCI60_033445
Property Insights of NCI60_033445
The XLogP value of 3.20152 indicates that NCI60_033445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.13 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_033445. Following Lipinski's Rule of Five, NCI60_033445 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 NCI60_033445?
The CAS number of NCI60_033445 is 101721-59-9.
What is the molecular formula of NCI60_033445?
The molecular formula of NCI60_033445 is C18H17N5O3S.
What is the molecular weight of NCI60_033445?
The molecular weight of NCI60_033445 is 383.11 g/mol.
Where can I buy NCI60_033445?
You can request a quote for NCI60_033445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_033445?
Yes, KEHONG BIO provides custom synthesis services for NCI60_033445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.