UPCMLD0ENAT5733388:001
TL;DR: UPCMLD0ENAT5733388:001 (CAS 868213-87-0) is a chemical compound with molecular formula C17H14ClN5O2S2 and molecular weight 419.02774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5733388:001, BAS 10854131, AB00396871-04, 7-(2-chlorobenzyl)-3-methyl-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione, F1781-0008
Technical Specifications
| Molecular Formula | C17H14ClN5O2S2 |
| Molecular Weight | 419.02774 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.02774 Da |
| Heavy Atoms | 27 |
| Complexity | 600.0 |
| SMILES | CC1=CSC(=N1)SC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C |
| InChIKey | ZKAQGGSFTBNSIZ-UHFFFAOYSA-N |
Chemical Property Profile of UPCMLD0ENAT5733388:001
Property Insights of UPCMLD0ENAT5733388:001
The XLogP value of 3.8 indicates that UPCMLD0ENAT5733388:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5733388:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5733388:001 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5733388:001?
The CAS number of UPCMLD0ENAT5733388:001 is 868213-87-0.
What is the molecular formula of UPCMLD0ENAT5733388:001?
The molecular formula of UPCMLD0ENAT5733388:001 is C17H14ClN5O2S2.
What is the molecular weight of UPCMLD0ENAT5733388:001?
The molecular weight of UPCMLD0ENAT5733388:001 is 419.02774 g/mol.
Where can I buy UPCMLD0ENAT5733388:001?
You can request a quote for UPCMLD0ENAT5733388:001 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for UPCMLD0ENAT5733388:001?
Yes, CoreyChem provides custom synthesis services for UPCMLD0ENAT5733388:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.