![[4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate structure](/static/products/916/91646-87-6.png)
[4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate
TL;DR: [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate (CAS 91646-87-6) is a chemical compound with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate
Also Known As: [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate|4-{2-[(Methylcarbamoyl)amino]ethyl}phenyl methylcarbamate|Carbamic acid, methyl-, p-[2-(3-methylureido)ethyl]phenyl ester
| Molecular Formula | C12H17N3O3 |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.127 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 91646-87-6 |
|---|---|
| SMILES | CNC(=O)NCCC1=CC=C(C=C1)OC(=O)NC |
| InChIKey | BMJMOPYXKZMWRE-UHFFFAOYSA-N |
Product Overview
[4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate (CAS 91646-87-6), with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol. IUPAC: [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate.
Chemical Property Profile of [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate
Property Insights of [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate. Following Lipinski's Rule of Five, [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate has 3 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 [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate?
The CAS number of [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate is 91646-87-6.
What is the molecular formula of [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate?
The molecular formula of [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate is C12H17N3O3.
What is the molecular weight of [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate?
The molecular weight of [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate is 251.13 g/mol.
Where can I buy [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate?
You can request a quote for [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for [4-[2-(methylcarbamoylamino)ethyl]phenyl] N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.