ChemDiv2_001215
TL;DR: ChemDiv2_001215 (CAS 474371-16-9) is a chemical compound with molecular formula C20H31NO3 and molecular weight 333.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,7-trimethyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
Also Known As: ChemDiv2_001215, BAS 05229249, 1,7,7-trimethyl-4-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbonyl)-3-oxabicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-1-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one, 1,7,7-trimethyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]-3-ox abicyclo[2.2.1]heptan-2-one
| Molecular Formula | C20H31NO3 |
|---|---|
| Molecular Weight | 333.23 g/mol |
| LogP | 3.5355 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.2304 |
| Heavy Atoms | 24 |
| Complexity | 638.7952 |
Chemical Identifiers
| CAS Number | 474371-16-9 |
|---|---|
| SMILES | CC1(CC2CC(C1)(CN2C(=O)C34CCC(C3(C)C)(C(=O)O4)C)C)C |
Product Overview
ChemDiv2_001215 (CAS 474371-16-9), with molecular formula C20H31NO3 and molecular weight 333.23 g/mol. IUPAC: 4,7,7-trimethyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one.
Chemical Property Profile of ChemDiv2_001215
Property Insights of ChemDiv2_001215
The XLogP value of 3.5355 indicates that ChemDiv2_001215 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, ChemDiv2_001215 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_001215 has 0 hydrogen bond donor(s) and 3 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 ChemDiv2_001215?
The CAS number of ChemDiv2_001215 is 474371-16-9.
What is the molecular formula of ChemDiv2_001215?
The molecular formula of ChemDiv2_001215 is C20H31NO3.
What is the molecular weight of ChemDiv2_001215?
The molecular weight of ChemDiv2_001215 is 333.23 g/mol.
Where can I buy ChemDiv2_001215?
You can request a quote for ChemDiv2_001215 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001215?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001215 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.