1,3-Benzenediol, mono(methylcarbamate)
TL;DR: 1,3-Benzenediol, mono(methylcarbamate) (CAS 22012-08-4) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxyphenyl) N-methylcarbamate
Also Known As: 3-Hydroxyphenyl methylcarbamate, 3-hydroxyphenyl N-methylcarbamate, (3-hydroxyphenyl) N-methylcarbamate, 1,3-Benzenediol, 1-(N-methylcarbamate), 1,3-Benzenediol, mono(methylcarbamate)
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 22012-08-4 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC(=C1)O |
| InChIKey | CZNVCWZCRNGTOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenediol, mono(methylcarbamate) (CAS 22012-08-4), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: (3-hydroxyphenyl) N-methylcarbamate.
Chemical Property Profile of 1,3-Benzenediol, mono(methylcarbamate)
Property Insights of 1,3-Benzenediol, mono(methylcarbamate)
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediol, mono(methylcarbamate). With a topological polar surface area (TPSA) of 58.6 Ų, 1,3-Benzenediol, mono(methylcarbamate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenediol, mono(methylcarbamate) 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 1,3-Benzenediol, mono(methylcarbamate)?
The CAS number of 1,3-Benzenediol, mono(methylcarbamate) is 22012-08-4.
What is the molecular formula of 1,3-Benzenediol, mono(methylcarbamate)?
The molecular formula of 1,3-Benzenediol, mono(methylcarbamate) is C8H9NO3.
What is the molecular weight of 1,3-Benzenediol, mono(methylcarbamate)?
The molecular weight of 1,3-Benzenediol, mono(methylcarbamate) is 167.06 g/mol.
Where can I buy 1,3-Benzenediol, mono(methylcarbamate)?
You can request a quote for 1,3-Benzenediol, mono(methylcarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediol, mono(methylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, mono(methylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.