3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene
TL;DR: 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene (CAS 91330-56-2) is a chemical compound with molecular formula C12H8N2O8S2 and molecular weight 371.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methoxycarbonyl-2-nitrothiophen-3-yl)-5-nitrothiophene-3-carboxylate
Also Known As: 3,3'-methoxycarbonyl-5,5'-nitro-4,4'-bithiophene, AI-942/13331597, AI-942/13331598, AI-942/13331599, 4,4'-dimethyl 2,2'-dinitro-[3,3'-bithiophene]-4,4'-dicarboxylate
| Molecular Formula | C12H8N2O8S2 |
|---|---|
| Molecular Weight | 371.97 g/mol |
| LogP | 2.8662 |
| Topological Polar Surface Area | 138.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.9722 |
| Heavy Atoms | 24 |
| Complexity | 783.1102 |
Chemical Identifiers
| CAS Number | 91330-56-2 |
|---|---|
| SMILES | COC(=O)C1=CSC(=C1C2=C(SC=C2C(=O)OC)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene (CAS 91330-56-2), with molecular formula C12H8N2O8S2 and molecular weight 371.97 g/mol. IUPAC: methyl 4-(4-methoxycarbonyl-2-nitrothiophen-3-yl)-5-nitrothiophene-3-carboxylate.
Chemical Property Profile of 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene
Property Insights of 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene
The XLogP value of 2.8662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene. The TPSA of 138.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene. Following Lipinski's Rule of Five, 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene has 0 hydrogen bond donor(s) and 10 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 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene?
The CAS number of 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene is 91330-56-2.
What is the molecular formula of 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene?
The molecular formula of 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene is C12H8N2O8S2.
What is the molecular weight of 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene?
The molecular weight of 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene is 371.97 g/mol.
Where can I buy 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene?
You can request a quote for 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Methoxycarbonyl-5,5'-nitro-4,4'-bithiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.