Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate
TL;DR: Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate (CAS 848178-49-4) is a chemical compound with molecular formula C9H7ClO4S and molecular weight 245.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate
Also Known As: methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate, methyl 4-(5-chlorothien-2-yl)-2,4-dioxobutanoate, methyl4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate, Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate, Methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxo-butanoate
| Molecular Formula | C9H7ClO4S |
|---|---|
| Molecular Weight | 245.98 g/mol |
| LogP | 1.7164 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.97536 |
| Heavy Atoms | 15 |
| Complexity | 409.9998 |
Chemical Identifiers
| CAS Number | 848178-49-4 |
|---|---|
| SMILES | COC(=O)C(=O)CC(=O)C1=CC=C(S1)Cl |
Product Overview
Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate (CAS 848178-49-4), with molecular formula C9H7ClO4S and molecular weight 245.98 g/mol. IUPAC: methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate.
Chemical Property Profile of Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate
Property Insights of Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate
The XLogP value of 1.7164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate. Following Lipinski's Rule of Five, Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate has 0 hydrogen bond donor(s) and 5 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 Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate?
The CAS number of Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate is 848178-49-4.
What is the molecular formula of Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate?
The molecular formula of Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate is C9H7ClO4S.
What is the molecular weight of Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate?
The molecular weight of Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate is 245.98 g/mol.
Where can I buy Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate?
You can request a quote for Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.