Unicarb
TL;DR: Unicarb (CAS 75096-86-5) is a chemical compound with molecular formula C17H25ClN2O4 and molecular weight 356.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]-2-oxoethyl]-trimethylazanium chloride
Also Known As: Unicarb, UC 54229, AI3-29783, [2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]-2-oxoethyl]-trimethylazanium chloride, Ethanaminium, 2-((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)-N,N,N-trimethyl-2-oxo-, chloride
| Molecular Formula | C17H25ClN2O4 |
|---|---|
| Molecular Weight | 356.15 g/mol |
| LogP | -0.93 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.1503 |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 75096-86-5 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)C(=O)C[N+](C)(C)C)C.[Cl-] |
| InChIKey | PSCBFCRKGHZFKD-UHFFFAOYSA-M |
Product Overview
Unicarb (CAS 75096-86-5), with molecular formula C17H25ClN2O4 and molecular weight 356.15 g/mol. IUPAC: [2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]-2-oxoethyl]-trimethylazanium chloride.
Chemical Property Profile of Unicarb
Property Insights of Unicarb
The XLogP value of -0.93 indicates that Unicarb is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.8 Ų, Unicarb exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Unicarb has 0 hydrogen bond donor(s) and 5 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 Unicarb?
The CAS number of Unicarb is 75096-86-5.
What is the molecular formula of Unicarb?
The molecular formula of Unicarb is C17H25ClN2O4.
What is the molecular weight of Unicarb?
The molecular weight of Unicarb is 356.15 g/mol.
Where can I buy Unicarb?
You can request a quote for Unicarb directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Unicarb?
Yes, KEHONG BIO provides custom synthesis services for Unicarb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.