CTK3E9532
TL;DR: CTK3E9532 (CAS 86321-25-7) is a chemical compound with molecular formula C15H16O9 and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[3-(2-carboxyethenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 3-((E)-2-carboxyethenyl)phenyl beta-D-glucopyranosiduronic acid, (2S,3S,4S,5R,6S)-6-[3-[(E)-2-carboxyethenyl]phenoxy]-3,4,5-trihydroxy-oxane-2-carboxylic Acid
| Molecular Formula | C15H16O9 |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.07944 |
| Heavy Atoms | 24 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 86321-25-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C=CC(=O)O |
| InChIKey | XPCHMFOWDFTFNV-DKBOKBLXSA-N |
Product Overview
CTK3E9532 (CAS 86321-25-7), with molecular formula C15H16O9 and molecular weight 340.08 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[3-(2-carboxyethenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of CTK3E9532
Property Insights of CTK3E9532
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3E9532. The TPSA of 154.0 Ų indicates high polarity, suggesting CTK3E9532 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3E9532 has 5 hydrogen bond donor(s) and 9 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 CTK3E9532?
The CAS number of CTK3E9532 is 86321-25-7.
What is the molecular formula of CTK3E9532?
The molecular formula of CTK3E9532 is C15H16O9.
What is the molecular weight of CTK3E9532?
The molecular weight of CTK3E9532 is 340.08 g/mol.
Where can I buy CTK3E9532?
You can request a quote for CTK3E9532 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E9532?
Yes, KEHONG BIO provides custom synthesis services for CTK3E9532 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.