4-Chloro-2,6-bis(dimethylaminomethyl)phenol
TL;DR: 4-Chloro-2,6-bis(dimethylaminomethyl)phenol (CAS 52662-66-5) is a chemical compound with molecular formula C12H19ClN2O and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2,6-bis[(dimethylamino)methyl]phenol
Also Known As: 4-Chloro-2,6-bis(dimethylaminomethyl)phenol, Diethyl-2,2-dimethyl-3-thiaadipat, Phenol,6-bis[(dimethylamino)methyl]-, 4-chloro-2,6-bis-dimethylaminomethyl-phenol, 4-CHLORO-2,6-BIS-DIMETHYLAMINO METHYL-PHENOL
| Molecular Formula | C12H19ClN2O |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.11859 |
| Heavy Atoms | 16 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 52662-66-5 |
|---|---|
| SMILES | CN(C)CC1=CC(=CC(=C1O)CN(C)C)Cl |
| InChIKey | YYMJQPRNZRJYFY-UHFFFAOYSA-N |
Product Overview
4-Chloro-2,6-bis(dimethylaminomethyl)phenol (CAS 52662-66-5), with molecular formula C12H19ClN2O and molecular weight 242.12 g/mol. IUPAC: 4-chloro-2,6-bis[(dimethylamino)methyl]phenol.
Chemical Property Profile of 4-Chloro-2,6-bis(dimethylaminomethyl)phenol
Property Insights of 4-Chloro-2,6-bis(dimethylaminomethyl)phenol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,6-bis(dimethylaminomethyl)phenol. With a topological polar surface area (TPSA) of 26.7 Ų, 4-Chloro-2,6-bis(dimethylaminomethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2,6-bis(dimethylaminomethyl)phenol has 1 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-2,6-bis(dimethylaminomethyl)phenol?
The CAS number of 4-Chloro-2,6-bis(dimethylaminomethyl)phenol is 52662-66-5.
What is the molecular formula of 4-Chloro-2,6-bis(dimethylaminomethyl)phenol?
The molecular formula of 4-Chloro-2,6-bis(dimethylaminomethyl)phenol is C12H19ClN2O.
What is the molecular weight of 4-Chloro-2,6-bis(dimethylaminomethyl)phenol?
The molecular weight of 4-Chloro-2,6-bis(dimethylaminomethyl)phenol is 242.12 g/mol.
Where can I buy 4-Chloro-2,6-bis(dimethylaminomethyl)phenol?
You can request a quote for 4-Chloro-2,6-bis(dimethylaminomethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,6-bis(dimethylaminomethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,6-bis(dimethylaminomethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.