beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl
TL;DR: beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl (CAS 90047-65-7) is a chemical compound with molecular formula C21H20Cl2O8 and molecular weight 470.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[4-[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl, 4-[2,2-Dichloro-1-(4-methoxyphenyl)ethenyl]phenyl hexopyranosiduronic acid, 4-[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]phenyl beta-D-glucopyranosiduronic acid, (2S,3S,4S,5R,6S)-6-[4-[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C21H20Cl2O8 |
|---|---|
| Molecular Weight | 470.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.05353 |
| Heavy Atoms | 31 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 90047-65-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=C(Cl)Cl)C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
| InChIKey | KQCXLEFAMZCUBM-HUTLKBDOSA-N |
Product Overview
beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl (CAS 90047-65-7), with molecular formula C21H20Cl2O8 and molecular weight 470.05 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[4-[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl
Property Insights of beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl
The XLogP value of 3.8 indicates that beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl 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 beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl has 4 hydrogen bond donor(s) and 8 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, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl?
The CAS number of beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl is 90047-65-7.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl?
The molecular formula of beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl is C21H20Cl2O8.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl?
The molecular weight of beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl is 470.05 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl?
You can request a quote for beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)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, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethenyl)phenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.