RefChem:276753
TL;DR: RefChem:276753 (CAS 49832-49-7) is a chemical compound with molecular formula C18H26N2O2 and molecular weight 302.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8,8-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane-2,4-dione
Also Known As: trans-4,5-didehydro-neral, 3-(4-(1-Pyrrolidinyl)-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-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl-, 1,8,8-Trimethyl-3-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]-3-azabicyclo[3.2.1]octane-2,4-dione, 5,8,8-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane-2,4-dione
| Molecular Formula | C18H26N2O2 |
|---|---|
| Molecular Weight | 302.20 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.19943 |
| Heavy Atoms | 22 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 49832-49-7 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)N(C2=O)CC#CCN3CCCC3)C)C |
| InChIKey | BGHGOJZCHIPOHC-UHFFFAOYSA-N |
Product Overview
RefChem:276753 (CAS 49832-49-7), with molecular formula C18H26N2O2 and molecular weight 302.20 g/mol. IUPAC: 1,8,8-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane-2,4-dione.
Chemical Property Profile of RefChem:276753
Property Insights of RefChem:276753
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:276753. With a topological polar surface area (TPSA) of 40.6 Ų, RefChem:276753 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276753 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:276753?
The CAS number of RefChem:276753 is 49832-49-7.
What is the molecular formula of RefChem:276753?
The molecular formula of RefChem:276753 is C18H26N2O2.
What is the molecular weight of RefChem:276753?
The molecular weight of RefChem:276753 is 302.20 g/mol.
Where can I buy RefChem:276753?
You can request a quote for RefChem:276753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276753?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.