C27H26ClN5O3S
TL;DR: C27H26ClN5O3S (CAS 844821-92-7) is a chemical compound with molecular formula C27H26ClN5O3S and molecular weight 535.1445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6Z)-6-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-{3-chloro-4-[(4-methylbenzyl)oxy]benzylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-6-(3-chloro-4-((4-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Technical Specifications
| Molecular Formula | C27H26ClN5O3S |
| Molecular Weight | 535.1445 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.1445 Da |
| Heavy Atoms | 37 |
| Complexity | 1000.0 |
| SMILES | CC1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)CC(=O)N5CCCCC5)Cl |
| InChIKey | QLTJKXFIIDGCLM-DEGVDWGGSA-N |
Chemical Property Profile of C27H26ClN5O3S
Property Insights of C27H26ClN5O3S
The XLogP value of 5.2 indicates that C27H26ClN5O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H26ClN5O3S. Following Lipinski's Rule of Five, C27H26ClN5O3S has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C27H26ClN5O3S?
The CAS number of C27H26ClN5O3S is 844821-92-7.
What is the molecular formula of C27H26ClN5O3S?
The molecular formula of C27H26ClN5O3S is C27H26ClN5O3S.
What is the molecular weight of C27H26ClN5O3S?
The molecular weight of C27H26ClN5O3S is 535.1445 g/mol.
Where can I buy C27H26ClN5O3S?
You can request a quote for C27H26ClN5O3S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C27H26ClN5O3S?
Yes, CoreyChem provides custom synthesis services for C27H26ClN5O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.