1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol
TL;DR: 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol (CAS 1049986-41-5) is a chemical compound with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol
Also Known As: 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol, 1,3-PROPANEDIOL, 1-(4-NITROPHENYL)-2-[(2Z)-4-PHENYL-2-(2-PROPEN-1-YLIMINO)-3(2H)-THIAZOLYL]-, 1-(4-Nitrophenyl)-2-[(2Z)-4-phenyl-2-[(prop-2-en-1-yl)imino]-1,3-thiazol-3(2H)-yl]propane-1,3-diol
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.4785 |
| Topological Polar Surface Area | 100.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 1041.7931 |
Chemical Identifiers
| CAS Number | 1049986-41-5 |
|---|---|
| SMILES | C=CCN=C1N(C(=CS1)C2=CC=CC=C2)C(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O |
Product Overview
1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol (CAS 1049986-41-5), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol.
Chemical Property Profile of 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol
Property Insights of 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol
The XLogP value of 3.4785 indicates that 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol. Following Lipinski's Rule of Five, 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol has 2 hydrogen bond donor(s) and 6 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 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol?
The CAS number of 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol is 1049986-41-5.
What is the molecular formula of 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol?
The molecular formula of 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol is C21H21N3O4S.
What is the molecular weight of 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol?
The molecular weight of 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol is 411.13 g/mol.
Where can I buy 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol?
You can request a quote for 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.