beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl
TL;DR: beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl (CAS 90047-67-9) is a chemical compound with molecular formula C21H21Cl3O9 and molecular weight 522.03 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-[2-hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl, 2-Hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid, 2-hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenyl beta-D-glucopyranosiduronic acid
| Molecular Formula | C21H21Cl3O9 |
|---|---|
| Molecular Weight | 522.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.0251 |
| Heavy Atoms | 33 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 90047-67-9 |
|---|---|
| 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)O)C(Cl)(Cl)Cl |
| InChIKey | OJGDVALIGFDQAI-SQBZNDFJSA-N |
Product Overview
beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl (CAS 90047-67-9), with molecular formula C21H21Cl3O9 and molecular weight 522.03 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl
Property Insights of beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl
The XLogP value of 3.2 indicates that beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl?
The CAS number of beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl is 90047-67-9.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl?
The molecular formula of beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl is C21H21Cl3O9.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl?
The molecular weight of beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl is 522.03 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl?
You can request a quote for beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.