Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate
TL;DR: Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate (CAS 7409-51-0) is a chemical compound with molecular formula C13H5Cl6NO2 and molecular weight 416.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) N-(2-chlorophenyl)carbamate
Also Known As: pentachlorophenyl(2-chlorophenyl)carbamate, perchlorophenyl (2-chlorophenyl)carbamate, Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate, 2,6-bis-dibenzylaminomethyl-cyclohexanone,dihydrochloride, (2,3,4,5,6-pentachlorophenyl) N-(2-chlorophenyl)carbamate
| Molecular Formula | C13H5Cl6NO2 |
|---|---|
| Molecular Weight | 416.85 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.84515 |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 7409-51-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | NXEKWZFAEOAXPP-UHFFFAOYSA-N |
Product Overview
Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate (CAS 7409-51-0), with molecular formula C13H5Cl6NO2 and molecular weight 416.85 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) N-(2-chlorophenyl)carbamate.
Chemical Property Profile of Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate
Property Insights of Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate
The XLogP value of 6.8 indicates that Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate 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 Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate?
The CAS number of Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate is 7409-51-0.
What is the molecular formula of Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate?
The molecular formula of Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate is C13H5Cl6NO2.
What is the molecular weight of Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate?
The molecular weight of Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate is 416.85 g/mol.
Where can I buy Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate?
You can request a quote for Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for Pentachlorophenyl hydrogen (2-chlorophenyl)carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.