Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate
TL;DR: Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate (CAS 91041-19-9) is a chemical compound with molecular formula C12H8ClNO5S and molecular weight 312.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-chloro-6-nitrophenoxy)thiophene-2-carboxylate
Also Known As: methyl 3-(2-chloro-6-nitrophenoxy)thiophene-2-carboxylate, methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate, METHYL3- -2-THIOPHENECARBOXYLATE, methyl3-(2-chloro-6-nitrophenoxy)thiophene-2-carboxylate, METHYL3-(2-CHLORO-6-NITROPHENOXY)-2-THIOPHENECARBOXYLATE
| Molecular Formula | C12H8ClNO5S |
|---|---|
| Molecular Weight | 312.98 g/mol |
| LogP | 3.8886 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.98117 |
| Heavy Atoms | 20 |
| Complexity | 669.6173 |
Chemical Identifiers
| CAS Number | 91041-19-9 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)OC2=C(C=CC=C2Cl)[N+](=O)[O-] |
Product Overview
Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate (CAS 91041-19-9), with molecular formula C12H8ClNO5S and molecular weight 312.98 g/mol. IUPAC: methyl 3-(2-chloro-6-nitrophenoxy)thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate
Property Insights of Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate
The XLogP value of 3.8886 indicates that Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate 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 Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate?
The CAS number of Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate is 91041-19-9.
What is the molecular formula of Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate?
The molecular formula of Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate is C12H8ClNO5S.
What is the molecular weight of Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate?
The molecular weight of Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate is 312.98 g/mol.
Where can I buy Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate?
You can request a quote for Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-chloro-6-nitrophenoxy)-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.