Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester
TL;DR: Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester (CAS 33538-99-7) is a chemical compound with molecular formula C23H24Cl6N2O4 and molecular weight 601.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[2-(butylcarbamoyloxy)-3,5,6-trichlorophenyl]methyl]-3,4,6-trichlorophenyl] N-butylcarbamate
Also Known As: Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester, methanediylbis-3,4,6-trichlorobenzene-2,1-diyl bis(butylcarbamate), Methylenebis(3,4,6-trichloro-2,1-phenylene) bis(hydrogen butylcarbonimidate), [2-[[2-(butylcarbamoyloxy)-3,5,6-trichloro-phenyl]methyl]-3,4,6-trichloro-phenyl] N-butylcarbamate, [2-[[2-(butylcarbamoyloxy)-3,5,6-trichlorophenyl]methyl]-3,4,6-trichlorophenyl] N-butylcarbamate
| Molecular Formula | C23H24Cl6N2O4 |
|---|---|
| Molecular Weight | 601.99 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 601.9867 |
| Heavy Atoms | 35 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 33538-99-7 |
|---|---|
| SMILES | CCCCNC(=O)OC1=C(C(=C(C=C1Cl)Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)OC(=O)NCCCC |
| InChIKey | HTHIIUBXSHBEAX-UHFFFAOYSA-N |
Product Overview
Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester (CAS 33538-99-7), with molecular formula C23H24Cl6N2O4 and molecular weight 601.99 g/mol. IUPAC: [2-[[2-(butylcarbamoyloxy)-3,5,6-trichlorophenyl]methyl]-3,4,6-trichlorophenyl] N-butylcarbamate.
Chemical Property Profile of Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester
Property Insights of Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester
The XLogP value of 9.3 indicates that Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester. Following Lipinski's Rule of Five, Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester?
The CAS number of Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester is 33538-99-7.
What is the molecular formula of Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester?
The molecular formula of Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester is C23H24Cl6N2O4.
What is the molecular weight of Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester?
The molecular weight of Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester is 601.99 g/mol.
Where can I buy Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester?
You can request a quote for Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, butyl-, methylenebis(3,4,6-trichloro-o-phenylene) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.