RefChem:1068848
TL;DR: RefChem:1068848 (CAS 145865-86-7) is a chemical compound with molecular formula C13H11N3O6S2 and molecular weight 369.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(E)-(4-nitrophenyl)methylideneamino]sulfamoyl]thiophene-3-carboxylate
Also Known As: Methyl 4-((((4-nitrophenyl)methylene)hydrazino)sulfonyl)-3-thiophenecarboxylate, 3-Thiophenecarboxylic acid, 4-((((4-nitrophenyl)methylene)hydrazino)sulfonyl)-, methyl ester, 4-[[2-(4-Nitrobenzylidene)hydrazino]sulfonyl]thiophene-3-carboxylic acid methyl ester, methyl 4-{N'-[(4-nitrophenyl)methylidene]hydrazinesulfonyl}thiophene-3-carboxylate, RefChem:1068848
| Molecular Formula | C13H11N3O6S2 |
|---|---|
| Molecular Weight | 369.01 g/mol |
| LogP | 1.7553 |
| Topological Polar Surface Area | 127.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.00894 |
| Heavy Atoms | 24 |
| Complexity | 886.6858 |
Chemical Identifiers
| CAS Number | 145865-86-7 |
|---|---|
| SMILES | COC(=O)C1=CSC=C1S(=O)(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
RefChem:1068848 (CAS 145865-86-7), with molecular formula C13H11N3O6S2 and molecular weight 369.01 g/mol. IUPAC: methyl 4-[[(E)-(4-nitrophenyl)methylideneamino]sulfamoyl]thiophene-3-carboxylate.
Chemical Property Profile of RefChem:1068848
Property Insights of RefChem:1068848
The XLogP value of 1.7553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068848. The TPSA of 127.97 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068848. Following Lipinski's Rule of Five, RefChem:1068848 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 RefChem:1068848?
The CAS number of RefChem:1068848 is 145865-86-7.
What is the molecular formula of RefChem:1068848?
The molecular formula of RefChem:1068848 is C13H11N3O6S2.
What is the molecular weight of RefChem:1068848?
The molecular weight of RefChem:1068848 is 369.01 g/mol.
Where can I buy RefChem:1068848?
You can request a quote for RefChem:1068848 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068848?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068848 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.