Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester
TL;DR: Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester (CAS 125372-45-4) is a chemical compound with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl N-(2-nitrobenzo[e][1]benzofuran-7-yl)carbamothioate
Also Known As: Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester, (2-Nitronaphtho(2,1-b)furan-7-yl)carbamothioic acid O-ethyl ester, O-Ethyl (2-nitronaphtho(2,1-b)furan-7-yl)carbamothioate, O-Ethyl (2-nitronaphtho[2,1-b]furan-7-yl)carbamothioate, O-ethyl N-(2-nitrobenzo[e][1]benzofuran-7-yl)carbamothioate
| Molecular Formula | C15H12N2O4S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 4.2275 |
| Topological Polar Surface Area | 77.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0518 |
| Heavy Atoms | 22 |
| Complexity | 887.76135 |
Chemical Identifiers
| CAS Number | 125372-45-4 |
|---|---|
| SMILES | CCOC(=S)NC1=CC2=C(C=C1)C3=C(C=C2)OC(=C3)[N+](=O)[O-] |
Product Overview
Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester (CAS 125372-45-4), with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol. IUPAC: O-ethyl N-(2-nitrobenzo[e][1]benzofuran-7-yl)carbamothioate.
Chemical Property Profile of Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester
Property Insights of Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester
The XLogP value of 4.2275 indicates that Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester. Following Lipinski's Rule of Five, Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester has 1 hydrogen bond donor(s) and 5 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 Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester?
The CAS number of Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester is 125372-45-4.
What is the molecular formula of Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester?
The molecular formula of Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester is C15H12N2O4S.
What is the molecular weight of Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester?
The molecular weight of Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester is 316.05 g/mol.
Where can I buy Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester?
You can request a quote for Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, (2-nitronaphtho(2,1-b)furan-7-yl)-, O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.