Isopropylcarbamic acid
TL;DR: Isopropylcarbamic acid (CAS 69777-53-3) is a chemical compound with molecular formula C4H9NO2 and molecular weight 103.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-ylcarbamic acid
Also Known As: isopropylcarbamic acid, propan-2-ylcarbamic acid, Carbamic acid, N-isopropyl ester, Carbamicacid,N-(1-methylethyl)-, N-(isopropyl) amino carboxylic acid
| Molecular Formula | C4H9NO2 |
|---|---|
| Molecular Weight | 103.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 103.06333 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 69777-53-3 |
|---|---|
| SMILES | CC(C)NC(=O)O |
| InChIKey | KNTZCGBYFGEMFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropylcarbamic acid (CAS 69777-53-3), with molecular formula C4H9NO2 and molecular weight 103.06 g/mol. IUPAC: propan-2-ylcarbamic acid.
Chemical Property Profile of Isopropylcarbamic acid
Property Insights of Isopropylcarbamic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropylcarbamic acid. With a topological polar surface area (TPSA) of 49.3 Ų, Isopropylcarbamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropylcarbamic 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 Isopropylcarbamic acid?
The CAS number of Isopropylcarbamic acid is 69777-53-3.
What is the molecular formula of Isopropylcarbamic acid?
The molecular formula of Isopropylcarbamic acid is C4H9NO2.
What is the molecular weight of Isopropylcarbamic acid?
The molecular weight of Isopropylcarbamic acid is 103.06 g/mol.
Where can I buy Isopropylcarbamic acid?
You can request a quote for Isopropylcarbamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropylcarbamic acid?
Yes, KEHONG BIO provides custom synthesis services for Isopropylcarbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.