4-Methoxyphenyl diethylcarbamate
TL;DR: 4-Methoxyphenyl diethylcarbamate (CAS 85630-18-8) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) N,N-diethylcarbamate
Also Known As: 4-Methoxyphenyl diethylcarbamate, 4-METHOXYPHENYL N,N-DIETHYLCARBAMATE, (4-methoxyphenyl) N,N-diethylcarbamate, Diethylcarbamic acid 4-methoxyphenyl ester, N,N-Diethyl-O-(4-methoxyphenyl)carbamate
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 85630-18-8 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1=CC=C(C=C1)OC |
| InChIKey | ULYHZFSLDZHJHM-UHFFFAOYSA-N |
Product Overview
4-Methoxyphenyl diethylcarbamate (CAS 85630-18-8), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: (4-methoxyphenyl) N,N-diethylcarbamate.
Chemical Property Profile of 4-Methoxyphenyl diethylcarbamate
Property Insights of 4-Methoxyphenyl diethylcarbamate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxyphenyl diethylcarbamate. With a topological polar surface area (TPSA) of 38.8 Ų, 4-Methoxyphenyl diethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxyphenyl diethylcarbamate has 0 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-Methoxyphenyl diethylcarbamate?
The CAS number of 4-Methoxyphenyl diethylcarbamate is 85630-18-8.
What is the molecular formula of 4-Methoxyphenyl diethylcarbamate?
The molecular formula of 4-Methoxyphenyl diethylcarbamate is C12H17NO3.
What is the molecular weight of 4-Methoxyphenyl diethylcarbamate?
The molecular weight of 4-Methoxyphenyl diethylcarbamate is 223.12 g/mol.
Where can I buy 4-Methoxyphenyl diethylcarbamate?
You can request a quote for 4-Methoxyphenyl diethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxyphenyl diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxyphenyl diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.