2-Iodobenzyl (3,4-dichlorophenyl)carbamate
TL;DR: 2-Iodobenzyl (3,4-dichlorophenyl)carbamate (CAS 698987-48-3) is a chemical compound with molecular formula C14H10Cl2INO2 and molecular weight 420.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-iodophenyl)methyl N-(3,4-dichlorophenyl)carbamate
Also Known As: 2-iodobenzyl (3,4-dichlorophenyl)carbamate, A3671/0155628, (2-iodophenyl)methyl N-(3,4-dichlorophenyl)carbamate, 2-IODOBENZYL N-(3,4-DICHLOROPHENYL)CARBAMATE, N-(3,4-dichlorophenyl)[(2-iodophenyl)methoxy]carboxamide
| Molecular Formula | C14H10Cl2INO2 |
|---|---|
| Molecular Weight | 420.91 g/mol |
| LogP | 5.3467 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.91333 |
| Heavy Atoms | 20 |
| Complexity | 634.321 |
Chemical Identifiers
| CAS Number | 698987-48-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)COC(=O)NC2=CC(=C(C=C2)Cl)Cl)I |
Product Overview
2-Iodobenzyl (3,4-dichlorophenyl)carbamate (CAS 698987-48-3), with molecular formula C14H10Cl2INO2 and molecular weight 420.91 g/mol. IUPAC: (2-iodophenyl)methyl N-(3,4-dichlorophenyl)carbamate.
Chemical Property Profile of 2-Iodobenzyl (3,4-dichlorophenyl)carbamate
Property Insights of 2-Iodobenzyl (3,4-dichlorophenyl)carbamate
The XLogP value of 5.3467 indicates that 2-Iodobenzyl (3,4-dichlorophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 2-Iodobenzyl (3,4-dichlorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodobenzyl (3,4-dichlorophenyl)carbamate 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 2-Iodobenzyl (3,4-dichlorophenyl)carbamate?
The CAS number of 2-Iodobenzyl (3,4-dichlorophenyl)carbamate is 698987-48-3.
What is the molecular formula of 2-Iodobenzyl (3,4-dichlorophenyl)carbamate?
The molecular formula of 2-Iodobenzyl (3,4-dichlorophenyl)carbamate is C14H10Cl2INO2.
What is the molecular weight of 2-Iodobenzyl (3,4-dichlorophenyl)carbamate?
The molecular weight of 2-Iodobenzyl (3,4-dichlorophenyl)carbamate is 420.91 g/mol.
Where can I buy 2-Iodobenzyl (3,4-dichlorophenyl)carbamate?
You can request a quote for 2-Iodobenzyl (3,4-dichlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodobenzyl (3,4-dichlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodobenzyl (3,4-dichlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.