Inosit-hexakis-dichloracetat
TL;DR: Inosit-hexakis-dichloracetat (CAS 314291-08-2) is a chemical compound with molecular formula C22H19N5O3S and molecular weight 433.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate
Also Known As: Inosit-hexakis-dichloracetat, BAS 00345170, (E)-Ethyl 4-(2-(3-methyl-5-oxo-1-(4-phenylthiazol-2-yl)-1H-pyrazol-4(5H)-ylidene)hydrazinyl)benzoate, ethyl 4-[(2Z)-2-[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-4-ylidene]hydrazinyl]benzoate, ethyl 4-{2-[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}benzoate
| Molecular Formula | C22H19N5O3S |
|---|---|
| Molecular Weight | 433.12 g/mol |
| LogP | 5.18962 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.12085 |
| Heavy Atoms | 31 |
| Complexity | 1286.9401 |
Chemical Identifiers
| CAS Number | 314291-08-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C |
Product Overview
Inosit-hexakis-dichloracetat (CAS 314291-08-2), with molecular formula C22H19N5O3S and molecular weight 433.12 g/mol. IUPAC: ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate.
Chemical Property Profile of Inosit-hexakis-dichloracetat
Property Insights of Inosit-hexakis-dichloracetat
The XLogP value of 5.18962 indicates that Inosit-hexakis-dichloracetat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Inosit-hexakis-dichloracetat. Following Lipinski's Rule of Five, Inosit-hexakis-dichloracetat has 1 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 Inosit-hexakis-dichloracetat?
The CAS number of Inosit-hexakis-dichloracetat is 314291-08-2.
What is the molecular formula of Inosit-hexakis-dichloracetat?
The molecular formula of Inosit-hexakis-dichloracetat is C22H19N5O3S.
What is the molecular weight of Inosit-hexakis-dichloracetat?
The molecular weight of Inosit-hexakis-dichloracetat is 433.12 g/mol.
Where can I buy Inosit-hexakis-dichloracetat?
You can request a quote for Inosit-hexakis-dichloracetat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inosit-hexakis-dichloracetat?
Yes, KEHONG BIO provides custom synthesis services for Inosit-hexakis-dichloracetat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.