Modified small vinyl ester
TL;DR: Modified small vinyl ester (CAS 4116-42-1) is a chemical compound with molecular formula C26H29ClO8 and molecular weight 504.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)oxirane;furan-2,5-dione;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methylprop-2-enoic acid
Also Known As: Modified small vinyl ester, EC 500-090-6, 500-090-6 (NLP #), (C15-H16-O2.C4-H6-O2.C4-H2-O3.C3-H5-Cl-O)x-, 2-(chloromethyl)oxirane; furan-2,5-dione; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 2-methylprop-2-enoic acid
| Molecular Formula | C26H29ClO8 |
|---|---|
| Molecular Weight | 504.16 g/mol |
| LogP | 4.3208 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 504.1551 |
| Heavy Atoms | 35 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 4116-42-1 |
|---|---|
| SMILES | CC(=C)C(=O)O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl.C1=CC(=O)OC1=O |
| InChIKey | WCPYLIYLBPCVCV-UHFFFAOYSA-N |
Product Overview
Modified small vinyl ester (CAS 4116-42-1), with molecular formula C26H29ClO8 and molecular weight 504.16 g/mol. IUPAC: 2-(chloromethyl)oxirane;furan-2,5-dione;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methylprop-2-enoic acid.
Chemical Property Profile of Modified small vinyl ester
Property Insights of Modified small vinyl ester
The XLogP value of 4.3208 indicates that Modified small vinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Modified small vinyl ester. Following Lipinski's Rule of Five, Modified small vinyl ester has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Modified small vinyl ester?
The CAS number of Modified small vinyl ester is 4116-42-1.
What is the molecular formula of Modified small vinyl ester?
The molecular formula of Modified small vinyl ester is C26H29ClO8.
What is the molecular weight of Modified small vinyl ester?
The molecular weight of Modified small vinyl ester is 504.16 g/mol.
Where can I buy Modified small vinyl ester?
You can request a quote for Modified small vinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Modified small vinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Modified small vinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.