4-Chloro-N,N-diisopropylbenzamide
TL;DR: 4-Chloro-N,N-diisopropylbenzamide (CAS 76487-56-4) is a chemical compound with molecular formula C13H18ClNO and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N,N-di(propan-2-yl)benzamide
Also Known As: 4-Chloro-N,N-diisopropylbenzamide, 4-chloro-N,N-di(propan-2-yl)benzamide, 4-chloro-N,N-bis(propan-2-yl)benzamide, N,N-Diisopropyl-4-chlorobenzamide, 4-chloro-N,N-diisopropyl-benzamide
| Molecular Formula | C13H18ClNO |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.1077 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 76487-56-4 |
|---|---|
| SMILES | CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)Cl |
| InChIKey | MGPPJDHMGGQMSG-UHFFFAOYSA-N |
Product Overview
4-Chloro-N,N-diisopropylbenzamide (CAS 76487-56-4), with molecular formula C13H18ClNO and molecular weight 239.11 g/mol. IUPAC: 4-chloro-N,N-di(propan-2-yl)benzamide.
Chemical Property Profile of 4-Chloro-N,N-diisopropylbenzamide
Property Insights of 4-Chloro-N,N-diisopropylbenzamide
The XLogP value of 3.6 indicates that 4-Chloro-N,N-diisopropylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 4-Chloro-N,N-diisopropylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N,N-diisopropylbenzamide has 0 hydrogen bond donor(s) and 1 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-N,N-diisopropylbenzamide?
The CAS number of 4-Chloro-N,N-diisopropylbenzamide is 76487-56-4.
What is the molecular formula of 4-Chloro-N,N-diisopropylbenzamide?
The molecular formula of 4-Chloro-N,N-diisopropylbenzamide is C13H18ClNO.
What is the molecular weight of 4-Chloro-N,N-diisopropylbenzamide?
The molecular weight of 4-Chloro-N,N-diisopropylbenzamide is 239.11 g/mol.
Where can I buy 4-Chloro-N,N-diisopropylbenzamide?
You can request a quote for 4-Chloro-N,N-diisopropylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N,N-diisopropylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N,N-diisopropylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.