N-Sec-butylformamide
TL;DR: N-Sec-butylformamide (CAS 53798-89-3) is a chemical compound with molecular formula C5H11NO and molecular weight 101.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-ylformamide
Also Known As: N-(butan-2-yl)formamide, N-sec-Butylformamide, sec-butylformamide, N-butan-2-ylformamide, N-(2-Butyl)formamide
| Molecular Formula | C5H11NO |
|---|---|
| Molecular Weight | 101.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.08406 |
| Heavy Atoms | 7 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 53798-89-3 |
|---|---|
| SMILES | CCC(C)NC=O |
| InChIKey | NRMJMIGWXUCEEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Sec-butylformamide (CAS 53798-89-3), with molecular formula C5H11NO and molecular weight 101.08 g/mol. IUPAC: N-butan-2-ylformamide.
Chemical Property Profile of N-Sec-butylformamide
Property Insights of N-Sec-butylformamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Sec-butylformamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-Sec-butylformamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Sec-butylformamide 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-butylformamide?
The CAS number of N-Sec-butylformamide is 53798-89-3.
What is the molecular formula of N-Sec-butylformamide?
The molecular formula of N-Sec-butylformamide is C5H11NO.
What is the molecular weight of N-Sec-butylformamide?
The molecular weight of N-Sec-butylformamide is 101.08 g/mol.
Where can I buy N-Sec-butylformamide?
You can request a quote for N-Sec-butylformamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Sec-butylformamide?
Yes, KEHONG BIO provides custom synthesis services for N-Sec-butylformamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.