UPCMLD0ENAT5774690:001
TL;DR: UPCMLD0ENAT5774690:001 (CAS 332897-54-8) is a chemical compound with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: UPCMLD0ENAT5774690:001, (E)-methyl 2-((7-(but-2-en-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, F0372-0588, methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate, methyl 2-({7-[(2E)-but-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
| Molecular Formula | C13H16N4O4S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 0.2645 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.08923 |
| Heavy Atoms | 22 |
| Complexity | 846.06775 |
Chemical Identifiers
| CAS Number | 332897-54-8 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C |
Product Overview
UPCMLD0ENAT5774690:001 (CAS 332897-54-8), with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol. IUPAC: methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of UPCMLD0ENAT5774690:001
Property Insights of UPCMLD0ENAT5774690:001
The XLogP value of 0.2645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5774690:001. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5774690:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5774690:001 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
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5774690:001?
The CAS number of UPCMLD0ENAT5774690:001 is 332897-54-8.
What is the molecular formula of UPCMLD0ENAT5774690:001?
The molecular formula of UPCMLD0ENAT5774690:001 is C13H16N4O4S.
What is the molecular weight of UPCMLD0ENAT5774690:001?
The molecular weight of UPCMLD0ENAT5774690:001 is 324.09 g/mol.
Where can I buy UPCMLD0ENAT5774690:001?
You can request a quote for UPCMLD0ENAT5774690:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5774690:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5774690:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.