Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester
TL;DR: Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester (CAS 20091-91-2) is a chemical compound with molecular formula C11H13N3O3S2 and molecular weight 299.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(E)-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]butylidene]amino]carbamodithioate
Also Known As: Methyl 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithiocarbazate, Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester, RefChem:1081157
| Molecular Formula | C11H13N3O3S2 |
|---|---|
| Molecular Weight | 299.04 g/mol |
| LogP | 3.2045 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.03983 |
| Heavy Atoms | 19 |
| Complexity | 523.01 |
Chemical Identifiers
| CAS Number | 20091-91-2 |
|---|---|
| SMILES | CC/C(=C\C1=CC=C(O1)[N+](=O)[O-])/C=N/NC(=S)SC |
Product Overview
Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester (CAS 20091-91-2), with molecular formula C11H13N3O3S2 and molecular weight 299.04 g/mol. IUPAC: methyl N-[(E)-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]butylidene]amino]carbamodithioate.
Chemical Property Profile of Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester
Property Insights of Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester
The XLogP value of 3.2045 indicates that Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester. Following Lipinski's Rule of Five, Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester has 1 hydrogen bond donor(s) and 6 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 Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester?
The CAS number of Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester is 20091-91-2.
What is the molecular formula of Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester?
The molecular formula of Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester is C11H13N3O3S2.
What is the molecular weight of Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester?
The molecular weight of Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester is 299.04 g/mol.
Where can I buy Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester?
You can request a quote for Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbazic acid, 3-(2-ethyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.