N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride
TL;DR: N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride (CAS 101041-95-6) is a chemical compound with molecular formula C11H13ClN2O3S and molecular weight 288.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;hydrochloride
Also Known As: Org 30029, N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride, N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;hydrochloride, N'-hydroxy-5,6-dimethoxy-benzothiophene-2-carboxamidine;hydrochloride, N'-Hydroxy-5,6-dimethoxybenzo[b]thiophene-2-carboximidamide hydrochloride
| Molecular Formula | C11H13ClN2O3S |
|---|---|
| Molecular Weight | 288.03 g/mol |
| LogP | 2.4348 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.03354 |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 101041-95-6 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=C(S2)C(=NO)N)OC.Cl |
| InChIKey | DVWBMWJOYIFITF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride (CAS 101041-95-6), with molecular formula C11H13ClN2O3S and molecular weight 288.03 g/mol. IUPAC: N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;hydrochloride.
Chemical Property Profile of N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride
Property Insights of N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride
The XLogP value of 2.4348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride. Following Lipinski's Rule of Five, N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride has 3 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 N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride?
The CAS number of N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride is 101041-95-6.
What is the molecular formula of N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride?
The molecular formula of N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride is C11H13ClN2O3S.
What is the molecular weight of N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride?
The molecular weight of N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride is 288.03 g/mol.
Where can I buy N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride?
You can request a quote for N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.