![ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate structure](/static/products/116/1164545-43-0.png)
ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate
TL;DR: ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate (CAS 1164545-43-0) is a chemical compound with molecular formula C16H21ClN4O4S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate
Also Known As: ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate, (Z)-ethyl 2-((7-(3-chlorobut-2-en-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)butanoate, ethyl 2-({7-[(2Z)-3-chloro-2-butenyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}thio)butanoate, ethyl 2-({7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate
| Molecular Formula | C16H21ClN4O4S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 1.9997 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.0972 |
| Heavy Atoms | 26 |
| Complexity | 955.5361 |
Chemical Identifiers
| CAS Number | 1164545-43-0 |
|---|---|
| SMILES | CCC(C(=O)OCC)SC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C |
Product Overview
ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate (CAS 1164545-43-0), with molecular formula C16H21ClN4O4S and molecular weight 400.10 g/mol. IUPAC: ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate.
Chemical Property Profile of ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate
Property Insights of ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate
The XLogP value of 1.9997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate. Following Lipinski's Rule of Five, ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate 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 ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate?
The CAS number of ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate is 1164545-43-0.
What is the molecular formula of ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate?
The molecular formula of ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate is C16H21ClN4O4S.
What is the molecular weight of ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate?
The molecular weight of ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate is 400.10 g/mol.
Where can I buy ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate?
You can request a quote for ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.