3-(Propan-2-yl)benzamide
TL;DR: 3-(Propan-2-yl)benzamide (CAS 66796-36-9) is a chemical compound with molecular formula C10H13NO and molecular weight 163.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-ylbenzamide
Also Known As: 3-(propan-2-yl)benzamide, m-Isopropylbenzamide, 3-Carbamoylcumene, 3-propan-2-ylbenzamide, 3-isopropyl-benzamide
| Molecular Formula | C10H13NO |
|---|---|
| Molecular Weight | 163.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.09972 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 66796-36-9 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)C(=O)N |
| InChIKey | BDAQGUZTTPIATR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Propan-2-yl)benzamide (CAS 66796-36-9), with molecular formula C10H13NO and molecular weight 163.10 g/mol. IUPAC: 3-propan-2-ylbenzamide.
Chemical Property Profile of 3-(Propan-2-yl)benzamide
Property Insights of 3-(Propan-2-yl)benzamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Propan-2-yl)benzamide. With a topological polar surface area (TPSA) of 43.1 Ų, 3-(Propan-2-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Propan-2-yl)benzamide 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-(Propan-2-yl)benzamide?
The CAS number of 3-(Propan-2-yl)benzamide is 66796-36-9.
What is the molecular formula of 3-(Propan-2-yl)benzamide?
The molecular formula of 3-(Propan-2-yl)benzamide is C10H13NO.
What is the molecular weight of 3-(Propan-2-yl)benzamide?
The molecular weight of 3-(Propan-2-yl)benzamide is 163.10 g/mol.
Where can I buy 3-(Propan-2-yl)benzamide?
You can request a quote for 3-(Propan-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Propan-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Propan-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.