Methylhydroxybenzimidate
TL;DR: Methylhydroxybenzimidate (CAS 69731-90-4) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxybenzenecarboximidate
Also Known As: Wood reagent, Methylhydroxybenzimidate, methyl-p-hydroxybenzimidate, methyl 4-hydroxybenzimidate, METHYL 4-HYDROXYBENZENECARBOXIMIDATE
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 69731-90-4 |
|---|---|
| SMILES | COC(=N)C1=CC=C(C=C1)O |
| InChIKey | DYQNRMCKBFOWKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylhydroxybenzimidate (CAS 69731-90-4), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: methyl 4-hydroxybenzenecarboximidate.
Chemical Property Profile of Methylhydroxybenzimidate
Property Insights of Methylhydroxybenzimidate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylhydroxybenzimidate. With a topological polar surface area (TPSA) of 53.3 Ų, Methylhydroxybenzimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylhydroxybenzimidate 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 Methylhydroxybenzimidate?
The CAS number of Methylhydroxybenzimidate is 69731-90-4.
What is the molecular formula of Methylhydroxybenzimidate?
The molecular formula of Methylhydroxybenzimidate is C8H9NO2.
What is the molecular weight of Methylhydroxybenzimidate?
The molecular weight of Methylhydroxybenzimidate is 151.06 g/mol.
Where can I buy Methylhydroxybenzimidate?
You can request a quote for Methylhydroxybenzimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylhydroxybenzimidate?
Yes, KEHONG BIO provides custom synthesis services for Methylhydroxybenzimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.