UPCMLD0ENAT5829984:001
TL;DR: UPCMLD0ENAT5829984:001 (CAS 330818-31-0) is a chemical compound with molecular formula C15H22N4O4S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylacetate
Also Known As: UPCMLD0ENAT5829984:001, BAS 00288305, ethyl 2-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylacetate, ethyl 2-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate, ethyl [(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
| Molecular Formula | C15H22N4O4S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 1.2687 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.13617 |
| Heavy Atoms | 24 |
| Complexity | 836.3372 |
Chemical Identifiers
| CAS Number | 330818-31-0 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C |
Product Overview
UPCMLD0ENAT5829984:001 (CAS 330818-31-0), with molecular formula C15H22N4O4S and molecular weight 354.14 g/mol. IUPAC: ethyl 2-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylacetate.
Chemical Property Profile of UPCMLD0ENAT5829984:001
Property Insights of UPCMLD0ENAT5829984:001
The XLogP value of 1.2687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5829984:001. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5829984:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5829984:001 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 UPCMLD0ENAT5829984:001?
The CAS number of UPCMLD0ENAT5829984:001 is 330818-31-0.
What is the molecular formula of UPCMLD0ENAT5829984:001?
The molecular formula of UPCMLD0ENAT5829984:001 is C15H22N4O4S.
What is the molecular weight of UPCMLD0ENAT5829984:001?
The molecular weight of UPCMLD0ENAT5829984:001 is 354.14 g/mol.
Where can I buy UPCMLD0ENAT5829984:001?
You can request a quote for UPCMLD0ENAT5829984:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5829984:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5829984:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.