2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate
TL;DR: 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate (CAS 80985-74-6) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-3-(2-methylphenoxy)propyl] N-methylcarbamate
Also Known As: 1,2-Propanediol, 3-(o-tolyloxy)-, methylcarbamate, 3-(o-Toloxy)-2-hydroxypropyl N-methylcarbamate, [2-hydroxy-3-(2-methylphenoxy)propyl] N-methylcarbamate, 4-06-00-01954 (Beilstein Handbook Reference), 1,2-Propanediol, 3-(2-methylphenoxy)-, 1-(methylcarbamate)
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 80985-74-6 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(COC(=O)NC)O |
| InChIKey | XLAPNRXPYORQOS-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate (CAS 80985-74-6), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: [2-hydroxy-3-(2-methylphenoxy)propyl] N-methylcarbamate.
Chemical Property Profile of 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate
Property Insights of 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate. Following Lipinski's Rule of Five, 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate has 2 hydrogen bond donor(s) and 4 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 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate?
The CAS number of 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate is 80985-74-6.
What is the molecular formula of 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate?
The molecular formula of 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate is C12H17NO4.
What is the molecular weight of 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate?
The molecular weight of 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate is 239.12 g/mol.
Where can I buy 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate?
You can request a quote for 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-3-(2-methylphenoxy)propyl hydrogen methylcarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.