ethyl 2-methyl-2-isovalerylacetate
TL;DR: ethyl 2-methyl-2-isovalerylacetate (CAS 7251-99-2) is a chemical compound with molecular formula C32H22N4O10S3 and molecular weight 718.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-8-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]sulfonylphenyl]diazenyl]naphthalene-1-sulfonic acid
Also Known As: ethyl 2-methyl-2-isovalerylacetate, NCI60_000499, (8Z)-7-oxo-8-[[4-[4-[(2E)-2-(2-oxo-8-sulfonaphthalen-1-ylide, 1-Naphthalenesulfonicacid, 8,8'-[sulfonylbis(p-phenyleneazo)]bis[7-hydroxy- (8CI), (8Z)-7-oxo-8-[[4-[4-[(2E)-2-(2-oxo-8-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]sulfonylphenyl]hydrazinylidene]naphthalene-1-sulfonic acid
| Molecular Formula | C32H22N4O10S3 |
|---|---|
| Molecular Weight | 718.05 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 258.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 718.0498 |
| Heavy Atoms | 49 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 7251-99-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)S(=O)(=O)O)C(=C(C=C2)O)N=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=NC5=C(C=CC6=C5C(=CC=C6)S(=O)(=O)O)O |
| InChIKey | XQDXOBGAFYLUDL-UHFFFAOYSA-N |
Product Overview
ethyl 2-methyl-2-isovalerylacetate (CAS 7251-99-2), with molecular formula C32H22N4O10S3 and molecular weight 718.05 g/mol. IUPAC: 7-hydroxy-8-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]sulfonylphenyl]diazenyl]naphthalene-1-sulfonic acid.
Chemical Property Profile of ethyl 2-methyl-2-isovalerylacetate
Property Insights of ethyl 2-methyl-2-isovalerylacetate
The XLogP value of 5.6 indicates that ethyl 2-methyl-2-isovalerylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 258.0 Ų indicates high polarity, suggesting ethyl 2-methyl-2-isovalerylacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-methyl-2-isovalerylacetate has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-methyl-2-isovalerylacetate?
The CAS number of ethyl 2-methyl-2-isovalerylacetate is 7251-99-2.
What is the molecular formula of ethyl 2-methyl-2-isovalerylacetate?
The molecular formula of ethyl 2-methyl-2-isovalerylacetate is C32H22N4O10S3.
What is the molecular weight of ethyl 2-methyl-2-isovalerylacetate?
The molecular weight of ethyl 2-methyl-2-isovalerylacetate is 718.05 g/mol.
Where can I buy ethyl 2-methyl-2-isovalerylacetate?
You can request a quote for ethyl 2-methyl-2-isovalerylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-methyl-2-isovalerylacetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-methyl-2-isovalerylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.