Formetanate hydrochloride
TL;DR: Formetanate hydrochloride (CAS 23422-53-9) is a chemical compound with molecular formula C11H16ClN3O2 and molecular weight 257.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride
Also Known As: FORMETANATE HYDROCHLORIDE, Carzol, Formetanate HCl, Carzol SP, Carzol 92SP
| Molecular Formula | C11H16ClN3O2 |
|---|---|
| Molecular Weight | 257.09 g/mol |
| LogP | 2.05 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.0931 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| Melting Point | 392 to 202.2 °C decomposes |
| Solubility | YELLOW CRYSTALLINE SOLID; SOLUBILITY: LESS THAN 1 G/L WATER; ABOUT 100 G/L ACETONE, CHLOROFORM; GREATER THAN 200 G/L METHANOL /FORMETANATE/ |
| Vapor Pressure | 2e-08 mmHg |
Chemical Identifiers
| CAS Number | 23422-53-9 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl |
| InChIKey | MYPKGPZHHQEODQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Formetanate hydrochloride (CAS 23422-53-9), with molecular formula C11H16ClN3O2 and molecular weight 257.09 g/mol. IUPAC: [3-(dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride.
Chemical Property Profile of Formetanate hydrochloride
Property Insights of Formetanate hydrochloride
The XLogP value of 2.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Formetanate hydrochloride. With a topological polar surface area (TPSA) of 53.9 Ų, Formetanate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Formetanate hydrochloride has 2 hydrogen bond donor(s) and 3 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 Formetanate hydrochloride?
The CAS number of Formetanate hydrochloride is 23422-53-9.
What is the molecular formula of Formetanate hydrochloride?
The molecular formula of Formetanate hydrochloride is C11H16ClN3O2.
What is the molecular weight of Formetanate hydrochloride?
The molecular weight of Formetanate hydrochloride is 257.09 g/mol.
Where can I buy Formetanate hydrochloride?
You can request a quote for Formetanate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Formetanate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Formetanate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.