Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate
TL;DR: Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate (CAS 123986-66-3) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
Also Known As: cyanomethyl 3-(t-butyloxycarbonylamino)benzoate, cyanomethyl 3-(t-butyloxy-carbonylamino)benzoate, Cyanomethyl 3-(t-butyloxycarbonylamino)-benzoate, Cyanomethyl 3-[(tert-butoxycarbonyl)amino]benzoate, cyanomethyl 3-{[(tert-butoxy)carbonyl]amino}benzoate
| Molecular Formula | C14H16N2O4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 2.71398 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.111 |
| Heavy Atoms | 20 |
| Complexity | 540.8403 |
Chemical Identifiers
| CAS Number | 123986-66-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC#N |
Product Overview
Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate (CAS 123986-66-3), with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol. IUPAC: cyanomethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate.
Chemical Property Profile of Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate
Property Insights of Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate
The XLogP value of 2.71398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate. Following Lipinski's Rule of Five, Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate has 1 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 Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate?
The CAS number of Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate is 123986-66-3.
What is the molecular formula of Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate?
The molecular formula of Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate is C14H16N2O4.
What is the molecular weight of Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate?
The molecular weight of Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate is 276.11 g/mol.
Where can I buy Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate?
You can request a quote for Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.