沙格雷酯
TL;DR: 沙格雷酯 (CAS 125926-17-2) is a chemical compound with molecular formula C24H31NO6 and molecular weight 429.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
沙格雷酯
4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid
Also Known As: Sarpogrelate, sarpogrelato, Anplag, Sarpogrelate [INN], sarpogrelatum
| Molecular Formula | C24H31NO6 |
|---|---|
| Molecular Weight | 429.22 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 429.21515 |
| Heavy Atoms | 31 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 125926-17-2 |
|---|---|
| SMILES | CN(C)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)OC)OC(=O)CCC(=O)O |
| InChIKey | FFYNAVGJSYHHFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
沙格雷酯 (CAS 125926-17-2), with molecular formula C24H31NO6 and molecular weight 429.22 g/mol. IUPAC: 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid.
Chemical Property Profile of 沙格雷酯
Property Insights of 沙格雷酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 沙格雷酯. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 沙格雷酯. Following Lipinski's Rule of Five, 沙格雷酯 has 1 hydrogen bond donor(s) and 7 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 沙格雷酯?
The CAS number of 沙格雷酯 is 125926-17-2.
What is the molecular formula of 沙格雷酯?
The molecular formula of 沙格雷酯 is C24H31NO6.
What is the molecular weight of 沙格雷酯?
The molecular weight of 沙格雷酯 is 429.22 g/mol.
Where can I buy 沙格雷酯?
You can request a quote for 沙格雷酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 沙格雷酯?
Yes, KEHONG BIO provides custom synthesis services for 沙格雷酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.