![1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate structure](/static/products/180/180322-79-6.png)
1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate
TL;DR: 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate (CAS 180322-79-6) is a chemical compound with molecular formula C15H18NO4- and molecular weight 276.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylate
Also Known As: (1S,2S)-1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate, 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate
| Molecular Formula | C15H18NO4- |
|---|---|
| Molecular Weight | 276.12 g/mol |
| LogP | 1.1873 |
| Topological Polar Surface Area | 78.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.1236 |
| Heavy Atoms | 20 |
| Complexity | 520.4251 |
Chemical Identifiers
| CAS Number | 180322-79-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@]1(C[C@H]1C2=CC=CC=C2)C(=O)[O-] |
Product Overview
1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate (CAS 180322-79-6), with molecular formula C15H18NO4- and molecular weight 276.12 g/mol. IUPAC: cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylate.
Chemical Property Profile of 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate
Property Insights of 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate
The XLogP value of 1.1873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate. The TPSA of 78.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate. Following Lipinski's Rule of Five, 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate has 1 hydrogen bond donor(s) and 4 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 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate?
The CAS number of 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate is 180322-79-6.
What is the molecular formula of 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate?
The molecular formula of 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate is C15H18NO4-.
What is the molecular weight of 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate?
The molecular weight of 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate is 276.12 g/mol.
Where can I buy 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate?
You can request a quote for 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.