2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide
TL;DR: 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide (CAS 65919-85-9) is a chemical compound with molecular formula C14H17BrN2O4S and molecular weight 388.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
carbamothioyl-[(3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl]azanium bromide
Also Known As: 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide, 3-Benzofurancarboxylic acid, 5-methoxy-2-((thioureido)methyl)-, ethyl ester, hydrobromide, 5-Methoxy-2((thioureido)methyl)-3-benzofurancarboxylic acid ethyl ester hydrobromide, carbamothioyl-[(3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl]azanium bromide, RefChem:276897
| Molecular Formula | C14H17BrN2O4S |
|---|---|
| Molecular Weight | 388.01 g/mol |
| LogP | -2.0709 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.00925 |
| Heavy Atoms | 22 |
| Complexity | 686.77783 |
Chemical Identifiers
| CAS Number | 65919-85-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C[NH2+]C(=S)N.[Br-] |
Product Overview
2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide (CAS 65919-85-9), with molecular formula C14H17BrN2O4S and molecular weight 388.01 g/mol. IUPAC: carbamothioyl-[(3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl]azanium bromide.
Chemical Property Profile of 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide
Property Insights of 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide
The XLogP value of -2.0709 indicates that 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide. Following Lipinski's Rule of Five, 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide has 2 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 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide?
The CAS number of 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide is 65919-85-9.
What is the molecular formula of 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide?
The molecular formula of 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide is C14H17BrN2O4S.
What is the molecular weight of 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide?
The molecular weight of 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide is 388.01 g/mol.
Where can I buy 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide?
You can request a quote for 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Thioureamethyl)-3-carboethoxy-5-methoxybenzofuran hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.