Benzoyl chloride, 4-((diethylamino)methyl)-
TL;DR: Benzoyl chloride, 4-((diethylamino)methyl)- (CAS 80335-46-2) is a chemical compound with molecular formula C12H16ClNO and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylaminomethyl)benzoyl chloride
Also Known As: p-Diethylaminomethylbenzoyl chloride, Benzoyl chloride, 4-((diethylamino)methyl)-, 4-(diethylaminomethyl)benzoyl chloride, 4-Diethylaminomethylbenzoyl chloride, 4-[(DIETHYLAMINO)METHYL]BENZOYL CHLORIDE
| Molecular Formula | C12H16ClNO |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 2.9074 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.09204 |
| Heavy Atoms | 15 |
| Complexity | 316.89893 |
Chemical Identifiers
| CAS Number | 80335-46-2 |
|---|---|
| SMILES | CCN(CC)CC1=CC=C(C=C1)C(=O)Cl |
Product Overview
Benzoyl chloride, 4-((diethylamino)methyl)- (CAS 80335-46-2), with molecular formula C12H16ClNO and molecular weight 225.09 g/mol. IUPAC: 4-(diethylaminomethyl)benzoyl chloride.
Chemical Property Profile of Benzoyl chloride, 4-((diethylamino)methyl)-
Property Insights of Benzoyl chloride, 4-((diethylamino)methyl)-
The XLogP value of 2.9074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoyl chloride, 4-((diethylamino)methyl)-. With a topological polar surface area (TPSA) of 20.31 Ų, Benzoyl chloride, 4-((diethylamino)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoyl chloride, 4-((diethylamino)methyl)- has 0 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 Benzoyl chloride, 4-((diethylamino)methyl)-?
The CAS number of Benzoyl chloride, 4-((diethylamino)methyl)- is 80335-46-2.
What is the molecular formula of Benzoyl chloride, 4-((diethylamino)methyl)-?
The molecular formula of Benzoyl chloride, 4-((diethylamino)methyl)- is C12H16ClNO.
What is the molecular weight of Benzoyl chloride, 4-((diethylamino)methyl)-?
The molecular weight of Benzoyl chloride, 4-((diethylamino)methyl)- is 225.09 g/mol.
Where can I buy Benzoyl chloride, 4-((diethylamino)methyl)-?
You can request a quote for Benzoyl chloride, 4-((diethylamino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoyl chloride, 4-((diethylamino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoyl chloride, 4-((diethylamino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.