L-644,698
TL;DR: L-644,698 (CAS 72313-41-8) is a chemical compound with molecular formula C21H31NO4S and molecular weight 393.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[3-(3-hydroxyoctyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic acid
Also Known As: L-644,698, L-644698, 4-[3-[3-(3-hydroxyoctyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic Acid, SID:318165596, L 644698
| Molecular Formula | C21H31NO4S |
|---|---|
| Molecular Weight | 393.20 g/mol |
| LogP | 3.9403 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 393.1974 |
| Heavy Atoms | 27 |
| Complexity | 604.7041 |
Chemical Identifiers
| CAS Number | 72313-41-8 |
|---|---|
| SMILES | CCCCCC(CCN1C(SCC1=O)CCCC2=CC=C(C=C2)C(=O)O)O |
Product Overview
L-644,698 (CAS 72313-41-8), with molecular formula C21H31NO4S and molecular weight 393.20 g/mol. IUPAC: 4-[3-[3-(3-hydroxyoctyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic acid.
Chemical Property Profile of L-644,698
Property Insights of L-644,698
The XLogP value of 3.9403 indicates that L-644,698 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for L-644,698. Following Lipinski's Rule of Five, L-644,698 has 2 hydrogen bond donor(s) and 4 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 L-644,698?
The CAS number of L-644,698 is 72313-41-8.
What is the molecular formula of L-644,698?
The molecular formula of L-644,698 is C21H31NO4S.
What is the molecular weight of L-644,698?
The molecular weight of L-644,698 is 393.20 g/mol.
Where can I buy L-644,698?
You can request a quote for L-644,698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-644,698?
Yes, KEHONG BIO provides custom synthesis services for L-644,698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.