RefChem:1075548
TL;DR: RefChem:1075548 (CAS 130953-27-4) is a chemical compound with molecular formula C18H19Cl2N7OS and molecular weight 451.0749 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(7H-purin-6-ylsulfanyl)acetamide
Also Known As: (1H-Purin-6-ylthio)acetic acid ((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazide, Acetic acid, (1H-purin-6-ylthio)-, ((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazide, BRN 4770075
Technical Specifications
| Molecular Formula | C18H19Cl2N7OS |
| Molecular Weight | 451.0749 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 451.0749 Da |
| Heavy Atoms | 29 |
| Complexity | 530.0 |
| SMILES | C1=CC(=CC=C1/C=N/NC(=O)CSC2=NC=NC3=C2NC=N3)N(CCCl)CCCl |
| InChIKey | OULKSDKUJSYCFF-YCPBAFNGSA-N |
Chemical Property Profile of RefChem:1075548
Property Insights of RefChem:1075548
The XLogP value of 3.2 indicates that RefChem:1075548 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 RefChem:1075548. Following Lipinski's Rule of Five, RefChem:1075548 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1075548?
The CAS number of RefChem:1075548 is 130953-27-4.
What is the molecular formula of RefChem:1075548?
The molecular formula of RefChem:1075548 is C18H19Cl2N7OS.
What is the molecular weight of RefChem:1075548?
The molecular weight of RefChem:1075548 is 451.0749 g/mol.
Where can I buy RefChem:1075548?
You can request a quote for RefChem:1075548 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1075548?
Yes, CoreyChem provides custom synthesis services for RefChem:1075548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.