3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate
TL;DR: 3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate (CAS 22247-87-6) is a chemical compound with molecular formula C12H15Cl2NO2 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(chloromethyl)phenyl] N-propan-2-ylcarbamate
Also Known As: 3,5-bis(chloromethyl)phenyl propan-2-ylcarbamate, [3,5-bis(chloromethyl)phenyl] N-propan-2-ylcarbamate, Carbamic acid, .alpha.,.alpha.'-dichloro-3,5-xylyl ester, Carbamic acid,(1-methylethyl)-, 3,5-bis(chloromethyl)phenyl ester (9CI)
| Molecular Formula | C12H15Cl2NO2 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.04797 |
| Heavy Atoms | 17 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 22247-87-6 |
|---|---|
| SMILES | CC(C)NC(=O)OC1=CC(=CC(=C1)CCl)CCl |
| InChIKey | BMXGDYIPFAYOGL-UHFFFAOYSA-N |
Product Overview
3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate (CAS 22247-87-6), with molecular formula C12H15Cl2NO2 and molecular weight 275.05 g/mol. IUPAC: [3,5-bis(chloromethyl)phenyl] N-propan-2-ylcarbamate.
Chemical Property Profile of 3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate
Property Insights of 3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate
The XLogP value of 3.1 indicates that 3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate 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 propan-2-ylcarbamate?
The CAS number of 3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate is 22247-87-6.
What is the molecular formula of 3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate?
The molecular formula of 3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate is C12H15Cl2NO2.
What is the molecular weight of 3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate?
The molecular weight of 3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate is 275.05 g/mol.
Where can I buy 3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate?
You can request a quote for 3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate 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 propan-2-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(chloromethyl)phenyl propan-2-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.