n-Sec-butyl-4-isopropylbenzamide
TL;DR: n-Sec-butyl-4-isopropylbenzamide (CAS 62514-90-3) is a chemical compound with molecular formula C14H21NO and molecular weight 219.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-4-propan-2-ylbenzamide
Also Known As: n-sec-butyl-4-isopropylbenzamide, N-butan-2-yl-4-propan-2-ylbenzamide, N-(Butan-2-yl)-4-(propan-2-yl)benzamide, N-BUTAN-2-YL-4-PROPAN-2-YL-BENZAMIDE
| Molecular Formula | C14H21NO |
|---|---|
| Molecular Weight | 219.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.16231 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 62514-90-3 |
|---|---|
| SMILES | CCC(C)NC(=O)C1=CC=C(C=C1)C(C)C |
| InChIKey | TXWNJNSPDRSXDD-UHFFFAOYSA-N |
Product Overview
n-Sec-butyl-4-isopropylbenzamide (CAS 62514-90-3), with molecular formula C14H21NO and molecular weight 219.16 g/mol. IUPAC: N-butan-2-yl-4-propan-2-ylbenzamide.
Chemical Property Profile of n-Sec-butyl-4-isopropylbenzamide
Property Insights of n-Sec-butyl-4-isopropylbenzamide
The XLogP value of 3.7 indicates that n-Sec-butyl-4-isopropylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, n-Sec-butyl-4-isopropylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Sec-butyl-4-isopropylbenzamide 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 n-Sec-butyl-4-isopropylbenzamide?
The CAS number of n-Sec-butyl-4-isopropylbenzamide is 62514-90-3.
What is the molecular formula of n-Sec-butyl-4-isopropylbenzamide?
The molecular formula of n-Sec-butyl-4-isopropylbenzamide is C14H21NO.
What is the molecular weight of n-Sec-butyl-4-isopropylbenzamide?
The molecular weight of n-Sec-butyl-4-isopropylbenzamide is 219.16 g/mol.
Where can I buy n-Sec-butyl-4-isopropylbenzamide?
You can request a quote for n-Sec-butyl-4-isopropylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Sec-butyl-4-isopropylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for n-Sec-butyl-4-isopropylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.