N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate
TL;DR: N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate (CAS 51604-48-9) is a chemical compound with molecular formula C17H24N2O3 and molecular weight 304.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl N-(3-isocyanato-4-methylphenyl)carbamate
Also Known As: Carbamic acid, N-(3-isocyanato-4-methylphenyl)-, 2-ethylhexyl ester, Carbamic acid, (3-isocyanato-4-methylphenyl)-, 2-ethylhexyl ester, N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate, 2-ethylhexyl N-(3-isocyanato-4-methylphenyl)carbamate, 2-Ethylhexyl (3-isocyanato-4-methylphenyl)carbamate
| Molecular Formula | C17H24N2O3 |
|---|---|
| Molecular Weight | 304.18 g/mol |
| LogP | 4.72722 |
| Topological Polar Surface Area | 67.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 304.17868 |
| Heavy Atoms | 22 |
| Complexity | 536.7056 |
Chemical Identifiers
| CAS Number | 51604-48-9 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)NC1=CC(=C(C=C1)C)N=C=O |
Product Overview
N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate (CAS 51604-48-9), with molecular formula C17H24N2O3 and molecular weight 304.18 g/mol. IUPAC: 2-ethylhexyl N-(3-isocyanato-4-methylphenyl)carbamate.
Chemical Property Profile of N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate
Property Insights of N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate
The XLogP value of 4.72722 indicates that N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.76 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate. Following Lipinski's Rule of Five, N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate 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 N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate?
The CAS number of N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate is 51604-48-9.
What is the molecular formula of N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate?
The molecular formula of N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate is C17H24N2O3.
What is the molecular weight of N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate?
The molecular weight of N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate is 304.18 g/mol.
Where can I buy N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate?
You can request a quote for N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Isocyanato-4-methylphenyl)-2-ethylhexyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.