Xct790
TL;DR: Xct790 (CAS 796844-24-1) is a chemical compound with molecular formula C23H13F9N4O3S and molecular weight 596.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
Also Known As: XCT790, XCT 790, X4753_SIGMA, XCT790?, EX-A1708
| Molecular Formula | C23H13F9N4O3S |
|---|---|
| Molecular Weight | 596.06 g/mol |
| LogP | 6.72778 |
| Topological Polar Surface Area | 97.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 596.05646 |
| Heavy Atoms | 40 |
| Complexity | 1471.9283 |
Chemical Identifiers
| CAS Number | 796844-24-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=NN=C(S2)C(F)(F)F)OCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F |
Product Overview
Xct790 (CAS 796844-24-1), with molecular formula C23H13F9N4O3S and molecular weight 596.06 g/mol. IUPAC: (E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide.
Chemical Property Profile of Xct790
Property Insights of Xct790
The XLogP value of 6.72778 indicates that Xct790 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Xct790. Following Lipinski's Rule of Five, Xct790 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xct790?
The CAS number of Xct790 is 796844-24-1.
What is the molecular formula of Xct790?
The molecular formula of Xct790 is C23H13F9N4O3S.
What is the molecular weight of Xct790?
The molecular weight of Xct790 is 596.06 g/mol.
Where can I buy Xct790?
You can request a quote for Xct790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xct790?
Yes, KEHONG BIO provides custom synthesis services for Xct790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.