3X-0348
TL;DR: 3X-0348 (CAS 865659-91-2) is a chemical compound with molecular formula C24H19ClF3N5O3S and molecular weight 549.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Also Known As: 3X-0348, (5Z)-3-({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methyl)-5-[(4-oxo-4H-chromen-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one, (5Z)-3-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one, 3-({4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methyl)-5-[(4-oxo-4H-chromen-3-yl)methylene]-2-thioxotetrahydro-4H-imidazol-4-one, 3-[[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-5-[(4-oxo-4H-1-benzopyran-3-yl)methylene]-2-thioxo-4-imidazolidinone
| Molecular Formula | C24H19ClF3N5O3S |
|---|---|
| Molecular Weight | 549.08 g/mol |
| LogP | 3.6975 |
| Topological Polar Surface Area | 81.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 549.0849 |
| Heavy Atoms | 37 |
| Complexity | 1484.4664 |
Chemical Identifiers
| CAS Number | 865659-91-2 |
|---|---|
| SMILES | C1CN(CCN1CN2C(=O)/C(=C/C3=COC4=CC=CC=C4C3=O)/NC2=S)C5=C(C=C(C=N5)C(F)(F)F)Cl |
Product Overview
3X-0348 (CAS 865659-91-2), with molecular formula C24H19ClF3N5O3S and molecular weight 549.08 g/mol. IUPAC: (5Z)-3-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 3X-0348
Property Insights of 3X-0348
The XLogP value of 3.6975 indicates that 3X-0348 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3X-0348. Following Lipinski's Rule of Five, 3X-0348 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 3X-0348?
The CAS number of 3X-0348 is 865659-91-2.
What is the molecular formula of 3X-0348?
The molecular formula of 3X-0348 is C24H19ClF3N5O3S.
What is the molecular weight of 3X-0348?
The molecular weight of 3X-0348 is 549.08 g/mol.
Where can I buy 3X-0348?
You can request a quote for 3X-0348 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3X-0348?
Yes, KEHONG BIO provides custom synthesis services for 3X-0348 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.