![[3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate structure](/static/products/2225/22251-85-0.webp)
[3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate
TL;DR: [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate (CAS 22251-85-0) is a chemical compound with molecular formula C11H12Cl3NO2 and molecular weight 294.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate
Also Known As: 2(3H)-Furanone,3-bromodihydro-4-hydroxy, 2.2'-Dichloro-3.5-xylyl-N-cyclohexylcarbamat, 3,5-bis(chloromethyl)phenyl(2-chloroethyl)carbamate, [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate, 3,5-Bis(chloromethyl)phenyl hydrogen (2-chloroethyl)carbonimidate
| Molecular Formula | C11H12Cl3NO2 |
|---|---|
| Molecular Weight | 294.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.99335 |
| Heavy Atoms | 17 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 22251-85-0 |
|---|---|
| SMILES | C1=C(C=C(C=C1CCl)OC(=O)NCCCl)CCl |
| InChIKey | DSBZBPJWQWSACZ-UHFFFAOYSA-N |
Product Overview
[3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate (CAS 22251-85-0), with molecular formula C11H12Cl3NO2 and molecular weight 294.99 g/mol. IUPAC: [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate.
Chemical Property Profile of [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate
Property Insights of [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate 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 [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate?
The CAS number of [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate is 22251-85-0.
What is the molecular formula of [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate?
The molecular formula of [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate is C11H12Cl3NO2.
What is the molecular weight of [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate?
The molecular weight of [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate is 294.99 g/mol.
Where can I buy [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate?
You can request a quote for [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for [3,5-bis(chloromethyl)phenyl] N-(2-chloroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.