C26H27ClN4O3S2
TL;DR: C26H27ClN4O3S2 (CAS 840459-61-2) is a chemical compound with molecular formula C26H27ClN4O3S2 and molecular weight 542.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[(2-chlorophenyl)methyl]-5-[[7-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-3-(2-chlorobenzyl)-5-((2-((3-isopropoxypropyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-[(2-chlorophenyl)methyl]-5-[[7-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C26H27ClN4O3S2 |
|---|---|
| Molecular Weight | 542.12 g/mol |
| LogP | 5.28472 |
| Topological Polar Surface Area | 75.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.12134 |
| Heavy Atoms | 36 |
| Complexity | 1403.6901 |
Chemical Identifiers
| CAS Number | 840459-61-2 |
|---|---|
| SMILES | CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CC=C4Cl)NCCCOC(C)C)C=C1 |
Product Overview
C26H27ClN4O3S2 (CAS 840459-61-2), with molecular formula C26H27ClN4O3S2 and molecular weight 542.12 g/mol. IUPAC: (5Z)-3-[(2-chlorophenyl)methyl]-5-[[7-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of C26H27ClN4O3S2
Property Insights of C26H27ClN4O3S2
The XLogP value of 5.28472 indicates that C26H27ClN4O3S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.94 Ų falls within the moderate polarity range, balancing permeability and solubility for C26H27ClN4O3S2. Following Lipinski's Rule of Five, C26H27ClN4O3S2 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 C26H27ClN4O3S2?
The CAS number of C26H27ClN4O3S2 is 840459-61-2.
What is the molecular formula of C26H27ClN4O3S2?
The molecular formula of C26H27ClN4O3S2 is C26H27ClN4O3S2.
What is the molecular weight of C26H27ClN4O3S2?
The molecular weight of C26H27ClN4O3S2 is 542.12 g/mol.
Where can I buy C26H27ClN4O3S2?
You can request a quote for C26H27ClN4O3S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H27ClN4O3S2?
Yes, KEHONG BIO provides custom synthesis services for C26H27ClN4O3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.