5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate
TL;DR: 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate (CAS 297150-05-1) is a chemical compound with molecular formula C13H9NO6S and molecular weight 307.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methoxycarbonyl-2-nitrophenyl) thiophene-2-carboxylate
Also Known As: 5-(methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate, 5-(methoxycarbonyl)-2-nitrophenyl thiophene-2-carboxylate, (5-methoxycarbonyl-2-nitrophenyl) thiophene-2-carboxylate, AA-768/33245047, 2-nitro-5-(methoxycarbonyl)phenyl 2-thiophenecarboxylate
| Molecular Formula | C13H9NO6S |
|---|---|
| Molecular Weight | 307.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.01505 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 297150-05-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=CS2 |
| InChIKey | PTCXRDXKUXMXIQ-UHFFFAOYSA-N |
Product Overview
5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate (CAS 297150-05-1), with molecular formula C13H9NO6S and molecular weight 307.02 g/mol. IUPAC: (5-methoxycarbonyl-2-nitrophenyl) thiophene-2-carboxylate.
Chemical Property Profile of 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate
Property Insights of 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate
The XLogP value of 3.0 indicates that 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate. Following Lipinski's Rule of Five, 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate has 0 hydrogen bond donor(s) and 7 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 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate?
The CAS number of 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate is 297150-05-1.
What is the molecular formula of 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate?
The molecular formula of 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate is C13H9NO6S.
What is the molecular weight of 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate?
The molecular weight of 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate is 307.02 g/mol.
Where can I buy 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate?
You can request a quote for 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methoxycarbonyl)-2-nitrophenyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.