beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl
TL;DR: beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl (CAS 84559-06-8) is a chemical compound with molecular formula C13H12ClF3O7 and molecular weight 372.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[2-chloro-5-(trifluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 2-Chloro-5-(trifluoromethyl)phenyl hexopyranosiduronic acid, beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl, 2-Chloro-5-(trifluoromethyl)phenyl beta-D-glucopyranosiduronic acid, (2S,3S,4S,5R,6S)-6-[2-chloro-5-(trifluoromethyl)phenoxy]-3,4,5-trihydroxy-oxane-2-carboxylic Acid, (2S,3S,4S,5R,6S)-6-[2-chloro-5-(trifluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C13H12ClF3O7 |
|---|---|
| Molecular Weight | 372.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.02237 |
| Heavy Atoms | 24 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 84559-06-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Cl |
| InChIKey | SJNMLCFZJDCBPX-GOVZDWNOSA-N |
Product Overview
beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl (CAS 84559-06-8), with molecular formula C13H12ClF3O7 and molecular weight 372.02 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[2-chloro-5-(trifluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl
Property Insights of beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl?
The CAS number of beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl is 84559-06-8.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl?
The molecular formula of beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl is C13H12ClF3O7.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl?
The molecular weight of beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl is 372.02 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl?
You can request a quote for beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)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-chloro-5-(trifluoromethyl)phenyl?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.