Isobutylcarbamic acid
TL;DR: Isobutylcarbamic acid (CAS 70552-60-2) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropylcarbamic acid
Also Known As: isobutylcarbamic acid, (2-methylpropyl)carbamic acid, 2-methylpropylcarbamic acid, starbld0010281, NCIStruc1_001754
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 70552-60-2 |
|---|---|
| SMILES | CC(C)CNC(=O)O |
| InChIKey | PFDJIMKTGBPMEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutylcarbamic acid (CAS 70552-60-2), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: 2-methylpropylcarbamic acid.
Chemical Property Profile of Isobutylcarbamic acid
Property Insights of Isobutylcarbamic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutylcarbamic acid. With a topological polar surface area (TPSA) of 49.3 Ų, Isobutylcarbamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutylcarbamic acid has 2 hydrogen bond donor(s) and 2 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 Isobutylcarbamic acid?
The CAS number of Isobutylcarbamic acid is 70552-60-2.
What is the molecular formula of Isobutylcarbamic acid?
The molecular formula of Isobutylcarbamic acid is C5H11NO2.
What is the molecular weight of Isobutylcarbamic acid?
The molecular weight of Isobutylcarbamic acid is 117.08 g/mol.
Where can I buy Isobutylcarbamic acid?
You can request a quote for Isobutylcarbamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutylcarbamic acid?
Yes, KEHONG BIO provides custom synthesis services for Isobutylcarbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.