水杨嗪酸
TL;DR: 水杨嗪酸 (CAS 521-39-1) is a chemical compound with molecular formula C18H12O10 and molecular weight 388.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水杨嗪酸
5,13,17-trihydroxy-12-(hydroxymethyl)-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
Also Known As: Salazinic acid, SALAZIC ACID, Salacinicacid, Salacinic acid, Salazinic acid, 2
| Molecular Formula | C18H12O10 |
|---|---|
| Molecular Weight | 388.04 g/mol |
| LogP | 1.19722 |
| Topological Polar Surface Area | 159.82 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.04306 |
| Heavy Atoms | 28 |
| Complexity | 1084.9946 |
Chemical Identifiers
| CAS Number | 521-39-1 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3CO)O)C(=O)OC4O)C=O)O |
Product Overview
水杨嗪酸 (CAS 521-39-1), with molecular formula C18H12O10 and molecular weight 388.04 g/mol. IUPAC: 5,13,17-trihydroxy-12-(hydroxymethyl)-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde.
Chemical Property Profile of 水杨嗪酸
Property Insights of 水杨嗪酸
The XLogP value of 1.19722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 水杨嗪酸. The TPSA of 159.82 Ų indicates high polarity, suggesting 水杨嗪酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 水杨嗪酸 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 水杨嗪酸?
The CAS number of 水杨嗪酸 is 521-39-1.
What is the molecular formula of 水杨嗪酸?
The molecular formula of 水杨嗪酸 is C18H12O10.
What is the molecular weight of 水杨嗪酸?
The molecular weight of 水杨嗪酸 is 388.04 g/mol.
Where can I buy 水杨嗪酸?
You can request a quote for 水杨嗪酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水杨嗪酸?
Yes, KEHONG BIO provides custom synthesis services for 水杨嗪酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.