CAS 127444-17-1 - C29H25ClN6O4S2
TL;DR: CAS 127444-17-1 - C29H25ClN6O4S2 (CAS 127444-17-1) is a chemical compound with molecular formula C29H25ClN6O4S2 and molecular weight 620.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[2-[2-(4-chloroanilino)ethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxoimidazol-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
Also Known As: Acetamide, 2-((5-(2-(2-((4-chlorophenyl)amino)ethyl)-4,5-dihydro-4-((4-hydroxy-3-methoxyphenyl)methylene)-5-oxo-1H-imidazol-1-yl)-1,3,4-thiadiazol-2-yl)thio)-N-phenyl-
| Molecular Formula | C29H25ClN6O4S2 |
|---|---|
| Molecular Weight | 620.11 g/mol |
| LogP | 5.9249 |
| Topological Polar Surface Area | 129.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 620.10675 |
| Heavy Atoms | 42 |
| Complexity | 1643.5897 |
Chemical Identifiers
| CAS Number | 127444-17-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C2C(=O)N(C(=N2)CCNC3=CC=C(C=C3)Cl)C4=NN=C(S4)SCC(=O)NC5=CC=CC=C5)O |
Product Overview
CAS 127444-17-1 - C29H25ClN6O4S2 (CAS 127444-17-1), with molecular formula C29H25ClN6O4S2 and molecular weight 620.11 g/mol. IUPAC: 2-[[5-[2-[2-(4-chloroanilino)ethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxoimidazol-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of CAS 127444-17-1 - C29H25ClN6O4S2
Property Insights of CAS 127444-17-1 - C29H25ClN6O4S2
The XLogP value of 5.9249 indicates that CAS 127444-17-1 - C29H25ClN6O4S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.04 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 127444-17-1 - C29H25ClN6O4S2. Following Lipinski's Rule of Five, CAS 127444-17-1 - C29H25ClN6O4S2 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 127444-17-1 - C29H25ClN6O4S2?
The CAS number of CAS 127444-17-1 - C29H25ClN6O4S2 is 127444-17-1.
What is the molecular formula of CAS 127444-17-1 - C29H25ClN6O4S2?
The molecular formula of CAS 127444-17-1 - C29H25ClN6O4S2 is C29H25ClN6O4S2.
What is the molecular weight of CAS 127444-17-1 - C29H25ClN6O4S2?
The molecular weight of CAS 127444-17-1 - C29H25ClN6O4S2 is 620.11 g/mol.
Where can I buy CAS 127444-17-1 - C29H25ClN6O4S2?
You can request a quote for CAS 127444-17-1 - C29H25ClN6O4S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 127444-17-1 - C29H25ClN6O4S2?
Yes, KEHONG BIO provides custom synthesis services for CAS 127444-17-1 - C29H25ClN6O4S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.