UPCMLD0ENAT5831770:001
TL;DR: UPCMLD0ENAT5831770:001 (CAS 674813-96-8) is a chemical compound with molecular formula C19H24N8O4S and molecular weight 460.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperazine-1-carboxylate
Also Known As: UPCMLD0ENAT5831770:001, F1614-0106, Ethyl 4-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperazine-1-carboxylate, ethyl 4-(3-methyl-2,6-dioxo-7-(2-(pyrimidin-2-ylthio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate, ethyl 4-{3-methyl-2,6-dioxo-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}piperazine-1-carboxylate
| Molecular Formula | C19H24N8O4S |
|---|---|
| Molecular Weight | 460.16 g/mol |
| LogP | 0.2841 |
| Topological Polar Surface Area | 131.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.16412 |
| Heavy Atoms | 32 |
| Complexity | 1213.7761 |
Chemical Identifiers
| CAS Number | 674813-96-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CCSC4=NC=CC=N4)C(=O)NC(=O)N3C |
Product Overview
UPCMLD0ENAT5831770:001 (CAS 674813-96-8), with molecular formula C19H24N8O4S and molecular weight 460.16 g/mol. IUPAC: ethyl 4-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperazine-1-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5831770:001
Property Insights of UPCMLD0ENAT5831770:001
The XLogP value of 0.2841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5831770:001. The TPSA of 131.24 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5831770:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5831770:001 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5831770:001?
The CAS number of UPCMLD0ENAT5831770:001 is 674813-96-8.
What is the molecular formula of UPCMLD0ENAT5831770:001?
The molecular formula of UPCMLD0ENAT5831770:001 is C19H24N8O4S.
What is the molecular weight of UPCMLD0ENAT5831770:001?
The molecular weight of UPCMLD0ENAT5831770:001 is 460.16 g/mol.
Where can I buy UPCMLD0ENAT5831770:001?
You can request a quote for UPCMLD0ENAT5831770:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5831770:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5831770:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.