3,4-dimethyl-N-propan-2-ylbenzamide
TL;DR: 3,4-dimethyl-N-propan-2-ylbenzamide (CAS 70001-43-3) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-N-propan-2-ylbenzamide
Also Known As: 3,4-dimethyl-N-propan-2-ylbenzamide, 3,4-dimethyl-N-(propan-2-yl)benzamide, N-Isopropyl-3,4-dimethylbenzamide, N-Isopropyl-3,4-dimethyl-benzamide, BAS 00784327
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 70001-43-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(C)C)C |
| InChIKey | RTQQKHNPYPACAA-UHFFFAOYSA-N |
Product Overview
3,4-dimethyl-N-propan-2-ylbenzamide (CAS 70001-43-3), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 3,4-dimethyl-N-propan-2-ylbenzamide.
Chemical Property Profile of 3,4-dimethyl-N-propan-2-ylbenzamide
Property Insights of 3,4-dimethyl-N-propan-2-ylbenzamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethyl-N-propan-2-ylbenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, 3,4-dimethyl-N-propan-2-ylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dimethyl-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-dimethyl-N-propan-2-ylbenzamide?
The CAS number of 3,4-dimethyl-N-propan-2-ylbenzamide is 70001-43-3.
What is the molecular formula of 3,4-dimethyl-N-propan-2-ylbenzamide?
The molecular formula of 3,4-dimethyl-N-propan-2-ylbenzamide is C12H17NO.
What is the molecular weight of 3,4-dimethyl-N-propan-2-ylbenzamide?
The molecular weight of 3,4-dimethyl-N-propan-2-ylbenzamide is 191.13 g/mol.
Where can I buy 3,4-dimethyl-N-propan-2-ylbenzamide?
You can request a quote for 3,4-dimethyl-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-dimethyl-N-propan-2-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-N-propan-2-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.