Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
TL;DR: Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester (CAS 123312-15-2) is a chemical compound with molecular formula C26H26N2O3 and molecular weight 414.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] N-(1-phenylethyl)-N-propan-2-ylcarbamate
Also Known As: Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, Cyano(3-phenoxyphenyl)methyl (1-phenylethyl)(propan-2-yl)carbamate, cyano(3-phenoxyphenyl)methyl (1-phenylethyl)propan-2-ylcarbamate, [cyano-(3-phenoxyphenyl)methyl] N-(1-phenylethyl)-N-propan-2-ylcarbamate
| Molecular Formula | C26H26N2O3 |
|---|---|
| Molecular Weight | 414.19 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.19434 |
| Heavy Atoms | 31 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 123312-15-2 |
|---|---|
| SMILES | CC(C)N(C(C)C1=CC=CC=C1)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3 |
| InChIKey | CYEHLPPPVNSRKD-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester (CAS 123312-15-2), with molecular formula C26H26N2O3 and molecular weight 414.19 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] N-(1-phenylethyl)-N-propan-2-ylcarbamate.
Chemical Property Profile of Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
Property Insights of Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
The XLogP value of 5.8 indicates that Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester. Following Lipinski's Rule of Five, Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
The CAS number of Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is 123312-15-2.
What is the molecular formula of Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
The molecular formula of Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is C26H26N2O3.
What is the molecular weight of Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
The molecular weight of Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is 414.19 g/mol.
Where can I buy Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
You can request a quote for Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (alpha-methylbenzyl)(1-methylethyl)-, (3-phenoxyphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.