F0806-0123
TL;DR: F0806-0123 (CAS 477490-98-5) is a chemical compound with molecular formula C16H17N3O7S2 and molecular weight 427.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-nitrothiophene-3-carboxylate
Also Known As: Biguanide, 1-phenyl-, picrate, F0806-0123, ethyl 2-[4-(dimethylsulfamoyl)benzamido]-5-nitrothiophene-3-carboxylate, AB00685212-01, ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-nitrothiophene-3-carboxylate
| Molecular Formula | C16H17N3O7S2 |
|---|---|
| Molecular Weight | 427.05 g/mol |
| LogP | 2.3356 |
| Topological Polar Surface Area | 135.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.05078 |
| Heavy Atoms | 28 |
| Complexity | 1011.3589 |
Chemical Identifiers
| CAS Number | 477490-98-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C |
Product Overview
F0806-0123 (CAS 477490-98-5), with molecular formula C16H17N3O7S2 and molecular weight 427.05 g/mol. IUPAC: ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-nitrothiophene-3-carboxylate.
Chemical Property Profile of F0806-0123
Property Insights of F0806-0123
The XLogP value of 2.3356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0806-0123. The TPSA of 135.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F0806-0123. Following Lipinski's Rule of Five, F0806-0123 has 1 hydrogen bond donor(s) and 8 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 F0806-0123?
The CAS number of F0806-0123 is 477490-98-5.
What is the molecular formula of F0806-0123?
The molecular formula of F0806-0123 is C16H17N3O7S2.
What is the molecular weight of F0806-0123?
The molecular weight of F0806-0123 is 427.05 g/mol.
Where can I buy F0806-0123?
You can request a quote for F0806-0123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0806-0123?
Yes, KEHONG BIO provides custom synthesis services for F0806-0123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.