RefChem:276751
TL;DR: RefChem:276751 (CAS 90619-46-8) is a chemical compound with molecular formula C23H34Cl3N3O2 and molecular weight 489.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione;dihydrochloride
Also Known As: 3-Azabicyclo(3.2.1)octane-2,4-dione, 3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-1,8,8-trimethyl-, dihydrochloride, 3-AZABICYCLO(3.2.1)OCTANE-2,4-DIONE, 3-(3-(4-(3-CHLOROPHENYL)-1-PIPERAZINYL)PROP, 3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione dihydrochloride, 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propyl}-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione--hydrogen chloride (1/2), RefChem:276751
| Molecular Formula | C23H34Cl3N3O2 |
|---|---|
| Molecular Weight | 489.17 g/mol |
| LogP | 4.51 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.17166 |
| Heavy Atoms | 31 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 90619-46-8 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)N(C2=O)CCCN3CCN(CC3)C4=CC=C(C=C4)Cl)C)C.Cl.Cl |
| InChIKey | CWBAYENSVDXUHN-UHFFFAOYSA-N |
Product Overview
RefChem:276751 (CAS 90619-46-8), with molecular formula C23H34Cl3N3O2 and molecular weight 489.17 g/mol. IUPAC: 3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione;dihydrochloride.
Chemical Property Profile of RefChem:276751
Property Insights of RefChem:276751
The XLogP value of 4.51 indicates that RefChem:276751 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.9 Ų, RefChem:276751 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276751 has 2 hydrogen bond donor(s) and 4 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:276751?
The CAS number of RefChem:276751 is 90619-46-8.
What is the molecular formula of RefChem:276751?
The molecular formula of RefChem:276751 is C23H34Cl3N3O2.
What is the molecular weight of RefChem:276751?
The molecular weight of RefChem:276751 is 489.17 g/mol.
Where can I buy RefChem:276751?
You can request a quote for RefChem:276751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276751?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.