TLA0QJD1NY
TL;DR: TLA0QJD1NY (CAS 85864-54-6) is a chemical compound with molecular formula C26H26O4S and molecular weight 434.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(11Z)-11-ethyl-12-(4-hydroxyphenyl)-6H-benzo[c][1]benzothiocin-3-yl]oxy]propane-1,2-diol
Also Known As: C26H26O4S.1/2H2O, C26-H26-O4-S.1/2H2-O, 3-((11-Ethyl-12-(4-hydroxyphenyl)-6H-dibenzo(b,f)thiocin-3-yl)oxy)1,2-propanediol, 1,2-Propanediol, 3-((11-ethyl-12-(p-hydroxyphenyl)-6H-dibenzo(b,f)thiocin-3-yl)oxy)-, hemihydrate, 1,2-PROPANEDIOL, 3-((11-ETHYL-12-(4-HYDROXYPHENYL)-6H-DIBENZO(B,F)THIOCIN-3-YL)OXY)-
| Molecular Formula | C26H26O4S |
|---|---|
| Molecular Weight | 434.16 g/mol |
| LogP | 5.099 |
| Topological Polar Surface Area | 69.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.15518 |
| Heavy Atoms | 31 |
| Complexity | 1088.816 |
Chemical Identifiers
| CAS Number | 85864-54-6 |
|---|---|
| SMILES | CC/C/1=C(/C2=C(C=C(C=C2)OCC(CO)O)SCC3=CC=CC=C31)\C4=CC=C(C=C4)O |
Product Overview
TLA0QJD1NY (CAS 85864-54-6), with molecular formula C26H26O4S and molecular weight 434.16 g/mol. IUPAC: 3-[[(11Z)-11-ethyl-12-(4-hydroxyphenyl)-6H-benzo[c][1]benzothiocin-3-yl]oxy]propane-1,2-diol.
Chemical Property Profile of TLA0QJD1NY
Property Insights of TLA0QJD1NY
The XLogP value of 5.099 indicates that TLA0QJD1NY is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.92 Ų falls within the moderate polarity range, balancing permeability and solubility for TLA0QJD1NY. Following Lipinski's Rule of Five, TLA0QJD1NY has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TLA0QJD1NY?
The CAS number of TLA0QJD1NY is 85864-54-6.
What is the molecular formula of TLA0QJD1NY?
The molecular formula of TLA0QJD1NY is C26H26O4S.
What is the molecular weight of TLA0QJD1NY?
The molecular weight of TLA0QJD1NY is 434.16 g/mol.
Where can I buy TLA0QJD1NY?
You can request a quote for TLA0QJD1NY directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TLA0QJD1NY?
Yes, KEHONG BIO provides custom synthesis services for TLA0QJD1NY and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.