NCI60_017006
TL;DR: NCI60_017006 (CAS 139517-71-8) is a chemical compound with molecular formula C15H24N2O4 and molecular weight 296.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,2-dimethyl-7-oxospiro[1,4-diazabicyclo[3.2.0]heptane-6,2'-oxolane]-4-carboxylate
Also Known As: NCI60_017006, 4-BROMO-2-HYDROXYETHYL-1-METHOXYPHENYL, Spiro[1,4-diazabicyclo[3.2.0]heptane-6,2'(3'H)-furan]-4-carboxylic acid, dihydro-2,2-dimethyl-7-oxo-, 1,1-dimethylethyl ester, tert-butyl 2,2-dimethyl-7-oxospiro[1,4-diazabicyclo[3.2.0]heptane-6,2'-oxolane]-4-carboxylate, tert-butyl 2,2-dimethyl-7-oxo-spiro[1,4-diazabicyclo[3.2.0]heptane-6,2'-tetrahydrofuran]-4-carboxylate
| Molecular Formula | C15H24N2O4 |
|---|---|
| Molecular Weight | 296.17 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.1736 |
| Heavy Atoms | 21 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 139517-71-8 |
|---|---|
| SMILES | CC1(CN(C2N1C(=O)C23CCCO3)C(=O)OC(C)(C)C)C |
| InChIKey | UBFJSDIPJNHIMZ-UHFFFAOYSA-N |
Product Overview
NCI60_017006 (CAS 139517-71-8), with molecular formula C15H24N2O4 and molecular weight 296.17 g/mol. IUPAC: tert-butyl 2,2-dimethyl-7-oxospiro[1,4-diazabicyclo[3.2.0]heptane-6,2'-oxolane]-4-carboxylate.
Chemical Property Profile of NCI60_017006
Property Insights of NCI60_017006
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_017006. With a topological polar surface area (TPSA) of 59.1 Ų, NCI60_017006 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_017006 has 0 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 NCI60_017006?
The CAS number of NCI60_017006 is 139517-71-8.
What is the molecular formula of NCI60_017006?
The molecular formula of NCI60_017006 is C15H24N2O4.
What is the molecular weight of NCI60_017006?
The molecular weight of NCI60_017006 is 296.17 g/mol.
Where can I buy NCI60_017006?
You can request a quote for NCI60_017006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_017006?
Yes, KEHONG BIO provides custom synthesis services for NCI60_017006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.