![4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid structure](/static/products/9004/90047-64-6.webp)
4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid
TL;DR: 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid (CAS 90047-64-6) is a chemical compound with molecular formula C21H21Cl3O8 and molecular weight 506.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid
Also Known As: J2.179.921A, 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid, 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl beta-D-glucopyranosiduronic acid, beta-D-Glucopyranosiduronic acid, 4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid
| Molecular Formula | C21H21Cl3O8 |
|---|---|
| Molecular Weight | 506.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.0302 |
| Heavy Atoms | 32 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 90047-64-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(Cl)(Cl)Cl |
| InChIKey | WNHJQBBEFBQJGY-SQBZNDFJSA-N |
Product Overview
4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid (CAS 90047-64-6), with molecular formula C21H21Cl3O8 and molecular weight 506.03 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid.
Chemical Property Profile of 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid
Property Insights of 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid
The XLogP value of 3.5 indicates that 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid. Following Lipinski's Rule of Five, 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid has 4 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 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid?
The CAS number of 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid is 90047-64-6.
What is the molecular formula of 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid?
The molecular formula of 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid is C21H21Cl3O8.
What is the molecular weight of 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid?
The molecular weight of 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid is 506.03 g/mol.
Where can I buy 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid?
You can request a quote for 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.