RefChem:1086013
TL;DR: RefChem:1086013 (CAS 39978-27-3) is a chemical compound with molecular formula C14H11N5O7S and molecular weight 393.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-N-[2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
Also Known As: Glycine, N-((5-nitro-2-thienyl)carbonyl)-, (3-(5-nitro-2-furanyl)-2-propenylidene)hydrazide, N-((5-Nitro-2-thienyl)carbonyl)glycine (3-(5-nitro-2-furanyl)-2-propenylidene)hydrazide, N(sup 1)-(5'-Nitro-2'-thenoylglycyl)-N(sup 2)-(5''-nitro-2''-furylacrylidene)hydrazine, RefChem:1086013, BRN 1335227
| Molecular Formula | C14H11N5O7S |
|---|---|
| Molecular Weight | 393.04 g/mol |
| LogP | 1.7027 |
| Topological Polar Surface Area | 169.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 393.03793 |
| Heavy Atoms | 27 |
| Complexity | 929.94116 |
Chemical Identifiers
| CAS Number | 39978-27-3 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])/C=C/C=N/NC(=O)CNC(=O)C2=CC=C(S2)[N+](=O)[O-] |
Product Overview
RefChem:1086013 (CAS 39978-27-3), with molecular formula C14H11N5O7S and molecular weight 393.04 g/mol. IUPAC: 5-nitro-N-[2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
Chemical Property Profile of RefChem:1086013
Property Insights of RefChem:1086013
The XLogP value of 1.7027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086013. The TPSA of 169.98 Ų indicates high polarity, suggesting RefChem:1086013 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1086013 has 2 hydrogen bond donor(s) and 9 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:1086013?
The CAS number of RefChem:1086013 is 39978-27-3.
What is the molecular formula of RefChem:1086013?
The molecular formula of RefChem:1086013 is C14H11N5O7S.
What is the molecular weight of RefChem:1086013?
The molecular weight of RefChem:1086013 is 393.04 g/mol.
Where can I buy RefChem:1086013?
You can request a quote for RefChem:1086013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086013?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.