3-Dimethylaminobenzoyl chloride
TL;DR: 3-Dimethylaminobenzoyl chloride (CAS 117500-61-5) is a chemical compound with molecular formula C9H10ClNO and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)benzoyl chloride
Also Known As: 3-DIMETHYLAMINOBENZOYL CHLORIDE, 3-(dimethylamino)benzoyl chloride, Benzoyl chloride, 3-(dimethylamino)-, m-dimethylaminobenzoyl chloride, 3-dimethylamino-benzoyl chloride
| Molecular Formula | C9H10ClNO |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 2.1316 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.04509 |
| Heavy Atoms | 12 |
| Complexity | 296.33493 |
Chemical Identifiers
| CAS Number | 117500-61-5 |
|---|---|
| SMILES | CN(C)C1=CC=CC(=C1)C(=O)Cl |
Product Overview
3-Dimethylaminobenzoyl chloride (CAS 117500-61-5), with molecular formula C9H10ClNO and molecular weight 183.05 g/mol. IUPAC: 3-(dimethylamino)benzoyl chloride.
Chemical Property Profile of 3-Dimethylaminobenzoyl chloride
Property Insights of 3-Dimethylaminobenzoyl chloride
The XLogP value of 2.1316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Dimethylaminobenzoyl chloride. With a topological polar surface area (TPSA) of 20.31 Ų, 3-Dimethylaminobenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Dimethylaminobenzoyl chloride 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 3-Dimethylaminobenzoyl chloride?
The CAS number of 3-Dimethylaminobenzoyl chloride is 117500-61-5.
What is the molecular formula of 3-Dimethylaminobenzoyl chloride?
The molecular formula of 3-Dimethylaminobenzoyl chloride is C9H10ClNO.
What is the molecular weight of 3-Dimethylaminobenzoyl chloride?
The molecular weight of 3-Dimethylaminobenzoyl chloride is 183.05 g/mol.
Where can I buy 3-Dimethylaminobenzoyl chloride?
You can request a quote for 3-Dimethylaminobenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dimethylaminobenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Dimethylaminobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.