RefChem:305098
TL;DR: RefChem:305098 (CAS 116511-28-5) is a chemical compound with molecular formula C21H23N3O2 and molecular weight 349.17902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,12R,15S)-12-(2-methylprop-2-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione
Also Known As: KST-1A0750, (5as,12r,14as)-12-(2-methylprop-2-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5h,14h-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione, 5H,14H-Pyrrolo(1'',2'':4',5')pyrazino(1',2':1,6)pyrido(3,4-b)indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-12-(2-methyl-2-propenyl)-, (5aS-(5aalpha,12alpha,14aalpha))-, 8-(2'-hydroxy-2'-methylpropyl)-4,5,5a,8,14,14a-hexahydro-3H-pyrrolo[1',2':4,5]pyrazino[1,2-b]-, A-carboline-(5aH
Technical Specifications
| Molecular Formula | C21H23N3O2 |
| Molecular Weight | 349.17902 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.17902 Da |
| Heavy Atoms | 26 |
| Complexity | 647.0 |
| SMILES | CC(=C)C[C@@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=CC=CC=C5N2 |
| InChIKey | XDLPIIQRKKHLET-KSZLIROESA-N |
Chemical Property Profile of RefChem:305098
Property Insights of RefChem:305098
The XLogP value of 3.1 indicates that RefChem:305098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.4 Ų, RefChem:305098 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305098 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:305098?
The CAS number of RefChem:305098 is 116511-28-5.
What is the molecular formula of RefChem:305098?
The molecular formula of RefChem:305098 is C21H23N3O2.
What is the molecular weight of RefChem:305098?
The molecular weight of RefChem:305098 is 349.17902 g/mol.
Where can I buy RefChem:305098?
You can request a quote for RefChem:305098 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:305098?
Yes, CoreyChem provides custom synthesis services for RefChem:305098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.