![4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate structure](/static/products/1002/100248-81-5.webp)
4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate
TL;DR: 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate (CAS 100248-81-5) is a chemical compound with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-chloro-2-[(dimethylamino)methyl]phenyl] N,N-dimethylcarbamate
Also Known As: AO-365/40892369, 4-chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate, [4-chloro-2-(dimethylaminomethyl)phenyl] N,N-dimethylcarbamate, 4-chloro-2-((dimethylamino)methyl)phenyl dimethylcarbamate, Cambridge id 6707966
| Molecular Formula | C12H17ClN2O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.09787 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 100248-81-5 |
|---|---|
| SMILES | CN(C)CC1=C(C=CC(=C1)Cl)OC(=O)N(C)C |
| InChIKey | NVJLWLRKFXTGGT-UHFFFAOYSA-N |
Product Overview
4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate (CAS 100248-81-5), with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol. IUPAC: [4-chloro-2-[(dimethylamino)methyl]phenyl] N,N-dimethylcarbamate.
Chemical Property Profile of 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate
Property Insights of 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate. With a topological polar surface area (TPSA) of 32.8 Ų, 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate has 0 hydrogen bond donor(s) and 3 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 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate?
The CAS number of 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate is 100248-81-5.
What is the molecular formula of 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate?
The molecular formula of 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate is C12H17ClN2O2.
What is the molecular weight of 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate?
The molecular weight of 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate is 256.10 g/mol.
Where can I buy 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate?
You can request a quote for 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-[(dimethylamino)methyl]phenyl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.