4-Bromo-alpha-(dimethylamino)-O-cresol
TL;DR: 4-Bromo-alpha-(dimethylamino)-O-cresol (CAS 42313-79-1) is a chemical compound with molecular formula C9H12BrNO and molecular weight 229.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-[(dimethylamino)methyl]phenol
Also Known As: 4-bromo-2-[(dimethylamino)methyl]phenol, 4-Bromo-alpha-(dimethylamino)-O-cresol, 4-Brom-2-dimethylaminomethyl-phenol, 4-bromo-2-(dimethylaminomethyl)phenol, 2-(N,N-dimethylaminomethyl)-4-bromphenol
| Molecular Formula | C9H12BrNO |
|---|---|
| Molecular Weight | 229.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.01022 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 42313-79-1 |
|---|---|
| SMILES | CN(C)CC1=C(C=CC(=C1)Br)O |
| InChIKey | VKWZAKOXYMCAER-UHFFFAOYSA-N |
Product Overview
4-Bromo-alpha-(dimethylamino)-O-cresol (CAS 42313-79-1), with molecular formula C9H12BrNO and molecular weight 229.01 g/mol. IUPAC: 4-bromo-2-[(dimethylamino)methyl]phenol.
Chemical Property Profile of 4-Bromo-alpha-(dimethylamino)-O-cresol
Property Insights of 4-Bromo-alpha-(dimethylamino)-O-cresol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-alpha-(dimethylamino)-O-cresol. With a topological polar surface area (TPSA) of 23.5 Ų, 4-Bromo-alpha-(dimethylamino)-O-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-alpha-(dimethylamino)-O-cresol 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 4-Bromo-alpha-(dimethylamino)-O-cresol?
The CAS number of 4-Bromo-alpha-(dimethylamino)-O-cresol is 42313-79-1.
What is the molecular formula of 4-Bromo-alpha-(dimethylamino)-O-cresol?
The molecular formula of 4-Bromo-alpha-(dimethylamino)-O-cresol is C9H12BrNO.
What is the molecular weight of 4-Bromo-alpha-(dimethylamino)-O-cresol?
The molecular weight of 4-Bromo-alpha-(dimethylamino)-O-cresol is 229.01 g/mol.
Where can I buy 4-Bromo-alpha-(dimethylamino)-O-cresol?
You can request a quote for 4-Bromo-alpha-(dimethylamino)-O-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-alpha-(dimethylamino)-O-cresol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-alpha-(dimethylamino)-O-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.