UPCMLD0ENAT5731146:001
TL;DR: UPCMLD0ENAT5731146:001 (CAS 377064-96-5) is a chemical compound with molecular formula C15H20N4O4S and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: UPCMLD0ENAT5731146:001, ethyl 2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetate, ETHYL {[1,3-DIMETHYL-7-(2-METHYL-2-PROPENYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE, ethyl {[1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate, ethyl 2-((1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
| Molecular Formula | C15H20N4O4S |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 0.665 |
| Topological Polar Surface Area | 88.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.1205 |
| Heavy Atoms | 24 |
| Complexity | 922.1677 |
Chemical Identifiers
| CAS Number | 377064-96-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C |
Product Overview
UPCMLD0ENAT5731146:001 (CAS 377064-96-5), with molecular formula C15H20N4O4S and molecular weight 352.12 g/mol. IUPAC: ethyl 2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of UPCMLD0ENAT5731146:001
Property Insights of UPCMLD0ENAT5731146:001
The XLogP value of 0.665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5731146:001. The TPSA of 88.12 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5731146:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5731146:001 has 0 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5731146:001?
The CAS number of UPCMLD0ENAT5731146:001 is 377064-96-5.
What is the molecular formula of UPCMLD0ENAT5731146:001?
The molecular formula of UPCMLD0ENAT5731146:001 is C15H20N4O4S.
What is the molecular weight of UPCMLD0ENAT5731146:001?
The molecular weight of UPCMLD0ENAT5731146:001 is 352.12 g/mol.
Where can I buy UPCMLD0ENAT5731146:001?
You can request a quote for UPCMLD0ENAT5731146:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5731146:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5731146:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.