2,4,5-Trichlorophenyl methylcarbamate
TL;DR: 2,4,5-Trichlorophenyl methylcarbamate (CAS 51601-26-4) is a chemical compound with molecular formula C8H6Cl3NO2 and molecular weight 252.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,5-trichlorophenyl) N-methylcarbamate
Also Known As: 2,4,5-trichlorophenyl methylcarbamate, (2,4,5-trichlorophenyl) N-methylcarbamate, 2,4,5-trichlorophenyl N-methylcarbamate, Phenol,2,4,5-trichloro-, 1-(N-methylcarbamate), methyl-carbamic acid-(2,4,5-trichloro-phenyl ester)
| Molecular Formula | C8H6Cl3NO2 |
|---|---|
| Molecular Weight | 252.95 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.94641 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 51601-26-4 |
|---|---|
| SMILES | CNC(=O)OC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | NFKDYWQXMAXPKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trichlorophenyl methylcarbamate (CAS 51601-26-4), with molecular formula C8H6Cl3NO2 and molecular weight 252.95 g/mol. IUPAC: (2,4,5-trichlorophenyl) N-methylcarbamate.
Chemical Property Profile of 2,4,5-Trichlorophenyl methylcarbamate
Property Insights of 2,4,5-Trichlorophenyl methylcarbamate
The XLogP value of 3.1 indicates that 2,4,5-Trichlorophenyl methylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2,4,5-Trichlorophenyl methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trichlorophenyl methylcarbamate has 1 hydrogen bond donor(s) and 2 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 2,4,5-Trichlorophenyl methylcarbamate?
The CAS number of 2,4,5-Trichlorophenyl methylcarbamate is 51601-26-4.
What is the molecular formula of 2,4,5-Trichlorophenyl methylcarbamate?
The molecular formula of 2,4,5-Trichlorophenyl methylcarbamate is C8H6Cl3NO2.
What is the molecular weight of 2,4,5-Trichlorophenyl methylcarbamate?
The molecular weight of 2,4,5-Trichlorophenyl methylcarbamate is 252.95 g/mol.
Where can I buy 2,4,5-Trichlorophenyl methylcarbamate?
You can request a quote for 2,4,5-Trichlorophenyl methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trichlorophenyl methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trichlorophenyl methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.