UPCMLD0ENAT5832972:001
TL;DR: UPCMLD0ENAT5832972:001 (CAS 713089-42-0) is a chemical compound with molecular formula C22H26N10O4S and molecular weight 526.1859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[3-methyl-2,6-dioxo-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purin-8-yl]piperazine-1-carboxylate
Also Known As: UPCMLD0ENAT5832972:001, ethyl 4-[3-methyl-2,6-dioxo-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purin-8-yl]piperazine-1-carboxylate, F1614-0259, ethyl 4-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate, ethyl 4-(6-hydroxy-3-methyl-2-oxo-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-8-yl)piperazine-1-carboxylate
Technical Specifications
| Molecular Formula | C22H26N10O4S |
| Molecular Weight | 526.1859 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 169.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.1859 Da |
| Heavy Atoms | 37 |
| Complexity | 840.0 |
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CCSC4=NN=NN4C5=CC=CC=C5)C(=O)NC(=O)N3C |
| InChIKey | UQXJTANXOQQRFI-UHFFFAOYSA-N |
Chemical Property Profile of UPCMLD0ENAT5832972:001
Property Insights of UPCMLD0ENAT5832972:001
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5832972:001. The TPSA of 169.0 Ų indicates high polarity, suggesting UPCMLD0ENAT5832972:001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UPCMLD0ENAT5832972:001 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5832972:001?
The CAS number of UPCMLD0ENAT5832972:001 is 713089-42-0.
What is the molecular formula of UPCMLD0ENAT5832972:001?
The molecular formula of UPCMLD0ENAT5832972:001 is C22H26N10O4S.
What is the molecular weight of UPCMLD0ENAT5832972:001?
The molecular weight of UPCMLD0ENAT5832972:001 is 526.1859 g/mol.
Where can I buy UPCMLD0ENAT5832972:001?
You can request a quote for UPCMLD0ENAT5832972:001 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for UPCMLD0ENAT5832972:001?
Yes, CoreyChem provides custom synthesis services for UPCMLD0ENAT5832972:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.