Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate
TL;DR: Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate (CAS 683274-60-4) is a chemical compound with molecular formula C16H22N4O2 and molecular weight 302.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxylate
Also Known As: Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate, 8096AE, 5-Cyano-2-[4-butoxycarbonyl-1-(1,4-diazepenyl)]-pyridine, 5-cyano-2-[4-butoxycarbonyl-1-(1,4-diazepenyl)]pyridine, tert-butyl 4-(5-cyano-2-pyridyl)-1,4-diazepane-1-carboxylate
| Molecular Formula | C16H22N4O2 |
|---|---|
| Molecular Weight | 302.17 g/mol |
| LogP | 2.40048 |
| Topological Polar Surface Area | 69.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.1743 |
| Heavy Atoms | 22 |
| Complexity | 556.9939 |
Chemical Identifiers
| CAS Number | 683274-60-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC=C(C=C2)C#N |
Product Overview
Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate (CAS 683274-60-4), with molecular formula C16H22N4O2 and molecular weight 302.17 g/mol. IUPAC: tert-butyl 4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxylate.
Chemical Property Profile of Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate
Property Insights of Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate
The XLogP value of 2.40048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate. The TPSA of 69.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate 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 Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate?
The CAS number of Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate is 683274-60-4.
What is the molecular formula of Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate?
The molecular formula of Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate is C16H22N4O2.
What is the molecular weight of Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate?
The molecular weight of Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate is 302.17 g/mol.
Where can I buy Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate?
You can request a quote for Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.