(1
TL;DR: (1 (CAS 101223-89-6) is a chemical compound with molecular formula C30H45NO3 and molecular weight 467.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-acetyl-1,5,6-tritert-butyl-3-phenyl-2-azabicyclo[2.2.0]hex-5-ene-4-carboxylate
Also Known As: (1, A,3, A,4, A)-2-Acetyl-1,5,6-tri-tert-butyl-3-phenyl-2-azabicyclo<2.2.0>hex-5-en-4-carbonsaeure-tert-butylester, (1S,3S,4R)-2-Acetyl-1,5,6-tri-tert-butyl-3-phenyl-2-aza-bicyclo[2.2.0]hex-5-ene-4-carboxylic acid tert-butyl ester
| Molecular Formula | C30H45NO3 |
|---|---|
| Molecular Weight | 467.34 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.33994 |
| Heavy Atoms | 34 |
| Complexity | 880.0 |
Chemical Identifiers
| CAS Number | 101223-89-6 |
|---|---|
| SMILES | CC(=O)N1C(C2(C1(C(=C2C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C)C3=CC=CC=C3 |
| InChIKey | UDWZQFGMMSSQRG-UHFFFAOYSA-N |
Product Overview
(1 (CAS 101223-89-6), with molecular formula C30H45NO3 and molecular weight 467.34 g/mol. IUPAC: tert-butyl 2-acetyl-1,5,6-tritert-butyl-3-phenyl-2-azabicyclo[2.2.0]hex-5-ene-4-carboxylate.
Chemical Property Profile of (1
Property Insights of (1
The XLogP value of 6.1 indicates that (1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, (1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1?
The CAS number of (1 is 101223-89-6.
What is the molecular formula of (1?
The molecular formula of (1 is C30H45NO3.
What is the molecular weight of (1?
The molecular weight of (1 is 467.34 g/mol.
Where can I buy (1?
You can request a quote for (1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1?
Yes, KEHONG BIO provides custom synthesis services for (1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.