Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester
TL;DR: Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester (CAS 69353-17-9) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(ethoxycarbonylamino)-N-(1-phenylethyl)carbamate
Also Known As: 1-Methyl-4-ethyl-2-(alpha-methylbenzyl)bicarbamate, methyl N-(ethoxycarbonylamino)-N-(1-phenylethyl)carbamate, BICARBAMIC ACID, 2-(alpha-METHYLBENZYL)-, 1-METHYL 4-ETHYL ESTER, 2-(1-Phenylethyl)bicarbamic acid 1-methyl 4-ethyl ester, N'-(ETHOXYCARBONYL)-N-(1-PHENYLETHYL)METHOXYCARBOHYDRAZIDE
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 69353-17-9 |
|---|---|
| SMILES | CCOC(=O)NN(C(C)C1=CC=CC=C1)C(=O)OC |
| InChIKey | QGDQFWZIIIUCRF-UHFFFAOYSA-N |
Product Overview
Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester (CAS 69353-17-9), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: methyl N-(ethoxycarbonylamino)-N-(1-phenylethyl)carbamate.
Chemical Property Profile of Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester
Property Insights of Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester. Following Lipinski's Rule of Five, Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester has 1 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 Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester?
The CAS number of Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester is 69353-17-9.
What is the molecular formula of Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester?
The molecular formula of Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester is C13H18N2O4.
What is the molecular weight of Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester?
The molecular weight of Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester is 266.13 g/mol.
Where can I buy Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester?
You can request a quote for Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.