RefChem:276752
TL;DR: RefChem:276752 (CAS 49832-50-0) is a chemical compound with molecular formula C19H28N2O2 and molecular weight 316.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8,8-trimethyl-3-(4-piperidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane-2,4-dione
Also Known As: trans-4,5-didehydro-neral, 3-(4-(1-Piperidinyl)-2-butynyl)-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane-2,4-dione, 3-Azabicyclo(3.2.1)octane-2,4-dione, 3-(4-(1-piperidinyl)-2-butynyl)-1,8,8-trimethyl-, 1,8,8-trimethyl-3-[4-(piperidin-1-yl)but-2-yn-1-yl]-3-azabicyclo[3.2.1]octane-2,4-dione, 3-[4- -2-butynyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
| Molecular Formula | C19H28N2O2 |
|---|---|
| Molecular Weight | 316.22 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.2151 |
| Heavy Atoms | 23 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 49832-50-0 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)N(C2=O)CC#CCN3CCCCC3)C)C |
| InChIKey | YAEPVNDPVUGYJN-UHFFFAOYSA-N |
Product Overview
RefChem:276752 (CAS 49832-50-0), with molecular formula C19H28N2O2 and molecular weight 316.22 g/mol. IUPAC: 1,8,8-trimethyl-3-(4-piperidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane-2,4-dione.
Chemical Property Profile of RefChem:276752
Property Insights of RefChem:276752
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:276752. With a topological polar surface area (TPSA) of 40.6 Ų, RefChem:276752 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276752 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 RefChem:276752?
The CAS number of RefChem:276752 is 49832-50-0.
What is the molecular formula of RefChem:276752?
The molecular formula of RefChem:276752 is C19H28N2O2.
What is the molecular weight of RefChem:276752?
The molecular weight of RefChem:276752 is 316.22 g/mol.
Where can I buy RefChem:276752?
You can request a quote for RefChem:276752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276752?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.