3,4-dichloro-N-ethylbenzamide
TL;DR: 3,4-dichloro-N-ethylbenzamide (CAS 5980-29-0) is a chemical compound with molecular formula C9H9Cl2NO and molecular weight 217.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-ethylbenzamide
Also Known As: 3,4-dichloro-N-ethylbenzamide, benzamide,3,4-dichloro-N-ethyl-, (3,4-dichlorophenyl)-N-ethylcarboxamide
| Molecular Formula | C9H9Cl2NO |
|---|---|
| Molecular Weight | 217.01 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.00612 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 5980-29-0 |
|---|---|
| SMILES | CCNC(=O)C1=CC(=C(C=C1)Cl)Cl |
| InChIKey | AAWBPQBSUNBNCO-UHFFFAOYSA-N |
Product Overview
3,4-dichloro-N-ethylbenzamide (CAS 5980-29-0), with molecular formula C9H9Cl2NO and molecular weight 217.01 g/mol. IUPAC: 3,4-dichloro-N-ethylbenzamide.
Chemical Property Profile of 3,4-dichloro-N-ethylbenzamide
Property Insights of 3,4-dichloro-N-ethylbenzamide
The XLogP value of 3.6 indicates that 3,4-dichloro-N-ethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3,4-dichloro-N-ethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dichloro-N-ethylbenzamide has 1 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 3,4-dichloro-N-ethylbenzamide?
The CAS number of 3,4-dichloro-N-ethylbenzamide is 5980-29-0.
What is the molecular formula of 3,4-dichloro-N-ethylbenzamide?
The molecular formula of 3,4-dichloro-N-ethylbenzamide is C9H9Cl2NO.
What is the molecular weight of 3,4-dichloro-N-ethylbenzamide?
The molecular weight of 3,4-dichloro-N-ethylbenzamide is 217.01 g/mol.
Where can I buy 3,4-dichloro-N-ethylbenzamide?
You can request a quote for 3,4-dichloro-N-ethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dichloro-N-ethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-ethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.