Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)
TL;DR: Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1) (CAS 5333-86-8) is a chemical compound with molecular formula C9H12ClNO and molecular weight 185.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl benzenecarboximidate;hydrochloride
Also Known As: Ethyl benzimidate hydrochloride, Ethyl benzimidate HCl, Ethyl iminobenzoate hydrochloride, Benzimidic acid ethyl ester HCl, ethyl benzenecarboximidate hydrochloride
| Molecular Formula | C9H12ClNO |
|---|---|
| Molecular Weight | 185.06 g/mol |
| LogP | 2.47 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.06075 |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 5333-86-8 |
|---|---|
| SMILES | CCOC(=N)C1=CC=CC=C1.Cl |
| InChIKey | MODZVIMSNXSQIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1) (CAS 5333-86-8), with molecular formula C9H12ClNO and molecular weight 185.06 g/mol. IUPAC: ethyl benzenecarboximidate;hydrochloride.
Chemical Property Profile of Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)
Property Insights of Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)
The XLogP value of 2.47 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1). With a topological polar surface area (TPSA) of 33.1 Ų, Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1) has 2 hydrogen bond donor(s) and 2 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 Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)?
The CAS number of Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1) is 5333-86-8.
What is the molecular formula of Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)?
The molecular formula of Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1) is C9H12ClNO.
What is the molecular weight of Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)?
The molecular weight of Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1) is 185.06 g/mol.
Where can I buy Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)?
You can request a quote for Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.