RefChem:276754
TL;DR: RefChem:276754 (CAS 49832-48-6) is a chemical compound with molecular formula C18H28N2O2 and molecular weight 304.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(diethylamino)but-2-ynyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
Also Known As: trans-4,5-didehydro-neral, 3-(4-(Diethylamino)-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-(diethylamino)-2-butynyl)-1,8,8-trimethyl-, 3-[4-(Diethylamino)but-2-yn-1-yl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione, 3-[4-(diethylamino)but-2-ynyl]-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
| Molecular Formula | C18H28N2O2 |
|---|---|
| Molecular Weight | 304.22 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.2151 |
| Heavy Atoms | 22 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 49832-48-6 |
|---|---|
| SMILES | CCN(CC)CC#CCN1C(=O)C2CCC(C1=O)(C2(C)C)C |
| InChIKey | VLUULYNEBTVMAG-UHFFFAOYSA-N |
Product Overview
RefChem:276754 (CAS 49832-48-6), with molecular formula C18H28N2O2 and molecular weight 304.22 g/mol. IUPAC: 3-[4-(diethylamino)but-2-ynyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione.
Chemical Property Profile of RefChem:276754
Property Insights of RefChem:276754
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:276754. With a topological polar surface area (TPSA) of 40.6 Ų, RefChem:276754 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276754 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:276754?
The CAS number of RefChem:276754 is 49832-48-6.
What is the molecular formula of RefChem:276754?
The molecular formula of RefChem:276754 is C18H28N2O2.
What is the molecular weight of RefChem:276754?
The molecular weight of RefChem:276754 is 304.22 g/mol.
Where can I buy RefChem:276754?
You can request a quote for RefChem:276754 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276754?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276754 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.