3,4-dichloro-N-propan-2-ylbenzamide
TL;DR: 3,4-dichloro-N-propan-2-ylbenzamide (CAS 5246-07-1) is a chemical compound with molecular formula C10H11Cl2NO and molecular weight 231.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-propan-2-ylbenzamide
Also Known As: 3,4-dichloro-N-propan-2-ylbenzamide, 3,4-dichloro-N-isopropylbenzamide, 3,4-dichloro-N-(propan-2-yl)benzamide, 3,4-Dichloro-N-isopropyl-benzamide, BAS 00783687
| Molecular Formula | C10H11Cl2NO |
|---|---|
| Molecular Weight | 231.02 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.02177 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 5246-07-1 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC(=C(C=C1)Cl)Cl |
| InChIKey | HRQFVHHYFOMACR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-dichloro-N-propan-2-ylbenzamide (CAS 5246-07-1), with molecular formula C10H11Cl2NO and molecular weight 231.02 g/mol. IUPAC: 3,4-dichloro-N-propan-2-ylbenzamide.
Chemical Property Profile of 3,4-dichloro-N-propan-2-ylbenzamide
Property Insights of 3,4-dichloro-N-propan-2-ylbenzamide
The XLogP value of 4.0 indicates that 3,4-dichloro-N-propan-2-ylbenzamide 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-propan-2-ylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dichloro-N-propan-2-ylbenzamide 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-propan-2-ylbenzamide?
The CAS number of 3,4-dichloro-N-propan-2-ylbenzamide is 5246-07-1.
What is the molecular formula of 3,4-dichloro-N-propan-2-ylbenzamide?
The molecular formula of 3,4-dichloro-N-propan-2-ylbenzamide is C10H11Cl2NO.
What is the molecular weight of 3,4-dichloro-N-propan-2-ylbenzamide?
The molecular weight of 3,4-dichloro-N-propan-2-ylbenzamide is 231.02 g/mol.
Where can I buy 3,4-dichloro-N-propan-2-ylbenzamide?
You can request a quote for 3,4-dichloro-N-propan-2-ylbenzamide 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-propan-2-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-propan-2-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.