NCI60_014435
TL;DR: NCI60_014435 (CAS 957534-87-1) is a chemical compound with molecular formula C29H23N7O2S2 and molecular weight 565.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea
Also Known As: NCI60_014435, 2-[1-[2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-5-thiazolyl]-3-(4-nitrophenyl)-2-propen-1-ylidene]hydrazinecarbothioamide, [[1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea
| Molecular Formula | C29H23N7O2S2 |
|---|---|
| Molecular Weight | 565.14 g/mol |
| LogP | 6.13012 |
| Topological Polar Surface Area | 124.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 565.13544 |
| Heavy Atoms | 40 |
| Complexity | 1725.5513 |
Chemical Identifiers
| CAS Number | 957534-87-1 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NNC(=S)N)C=CC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
NCI60_014435 (CAS 957534-87-1), with molecular formula C29H23N7O2S2 and molecular weight 565.14 g/mol. IUPAC: [[1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea.
Chemical Property Profile of NCI60_014435
Property Insights of NCI60_014435
The XLogP value of 6.13012 indicates that NCI60_014435 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.26 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_014435. Following Lipinski's Rule of Five, NCI60_014435 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_014435?
The CAS number of NCI60_014435 is 957534-87-1.
What is the molecular formula of NCI60_014435?
The molecular formula of NCI60_014435 is C29H23N7O2S2.
What is the molecular weight of NCI60_014435?
The molecular weight of NCI60_014435 is 565.14 g/mol.
Where can I buy NCI60_014435?
You can request a quote for NCI60_014435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_014435?
Yes, KEHONG BIO provides custom synthesis services for NCI60_014435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.