5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate
TL;DR: 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate (CAS 6801-81-6) is a chemical compound with molecular formula C29H51NO2 and molecular weight 445.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylphenyl) N-octadecylcarbamate
Also Known As: 5-methyl-2-(propan-2-yl)phenyl octadecylcarbamate, (5-methyl-2-propan-2-ylphenyl) N-octadecylcarbamate
| Molecular Formula | C29H51NO2 |
|---|---|
| Molecular Weight | 445.39 g/mol |
| LogP | 11.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 445.39197 |
| Heavy Atoms | 32 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 6801-81-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(=O)OC1=C(C=CC(=C1)C)C(C)C |
| InChIKey | CTLGDQAWJVCBOT-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate (CAS 6801-81-6), with molecular formula C29H51NO2 and molecular weight 445.39 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) N-octadecylcarbamate.
Chemical Property Profile of 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate
Property Insights of 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate
The XLogP value of 11.7 indicates that 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate?
The CAS number of 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate is 6801-81-6.
What is the molecular formula of 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate?
The molecular formula of 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate is C29H51NO2.
What is the molecular weight of 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate?
The molecular weight of 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate is 445.39 g/mol.
Where can I buy 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate?
You can request a quote for 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(propan-2-yl)phenyl octadecylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.