3,5-Ditert-butylphenyl 4-chlorophenylcarbamate
TL;DR: 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate (CAS 6428-49-5) is a chemical compound with molecular formula C21H26ClNO2 and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-ditert-butylphenyl) N-(4-chlorophenyl)carbamate
Also Known As: 3,5-ditert-butylphenyl 4-chlorophenylcarbamate, (3,5-ditert-butylphenyl) N-(4-chlorophenyl)carbamate, 3,5-Di-tert-butylphenyl (4-chlorophenyl)carbamate, AE-848/08322060, 2-Naphthalenesulfonic acid, 6-[(2,4-diaminophenyl)azo]-3-[[4-[(2,4-diaminophenyl)azo]phenyl]azo]-4-hydroxy-, monosodium salt
| Molecular Formula | C21H26ClNO2 |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 6.5459 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.1652 |
| Heavy Atoms | 25 |
| Complexity | 720.696 |
Chemical Identifiers
| CAS Number | 6428-49-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)OC(=O)NC2=CC=C(C=C2)Cl)C(C)(C)C |
Product Overview
3,5-Ditert-butylphenyl 4-chlorophenylcarbamate (CAS 6428-49-5), with molecular formula C21H26ClNO2 and molecular weight 359.17 g/mol. IUPAC: (3,5-ditert-butylphenyl) N-(4-chlorophenyl)carbamate.
Chemical Property Profile of 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate
Property Insights of 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate
The XLogP value of 6.5459 indicates that 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate 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 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate?
The CAS number of 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate is 6428-49-5.
What is the molecular formula of 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate?
The molecular formula of 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate is C21H26ClNO2.
What is the molecular weight of 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate?
The molecular weight of 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate is 359.17 g/mol.
Where can I buy 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate?
You can request a quote for 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Ditert-butylphenyl 4-chlorophenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.