KST-1A0748
TL;DR: KST-1A0748 (CAS 116505-60-3) is a chemical compound with molecular formula C21H25N3O3 and molecular weight 367.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,12R,15S)-12-(2-hydroxy-2-methylpropyl)-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-1A0748, (5as,12r,14as)-12-(2-hydroxy-2-methylpropyl)-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-hydroxy-2-methylpropyl)-, (5aS-(5aalpha,12alpha,14aalpha))-, (1S,12R,15S)-12-(2-hydroxy-2-methylpropyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione, 8-(16-hydroxy-16-methylpropyl)-7,8,14,14a-tetrahydro-pyrrolidino-[1,2-c]piperazino-[1',6'-2,3]-
| Molecular Formula | C21H25N3O3 |
|---|---|
| Molecular Weight | 367.19 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.1896 |
| Heavy Atoms | 27 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 116505-60-3 |
|---|---|
| SMILES | CC(C)(C[C@@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=CC=CC=C5N2)O |
| InChIKey | RFFYLCRCNILFBP-YESZJQIVSA-N |
Product Overview
KST-1A0748 (CAS 116505-60-3), with molecular formula C21H25N3O3 and molecular weight 367.19 g/mol. IUPAC: (1S,12R,15S)-12-(2-hydroxy-2-methylpropyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione.
Chemical Property Profile of KST-1A0748
Property Insights of KST-1A0748
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A0748. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0748. Following Lipinski's Rule of Five, KST-1A0748 has 2 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 KST-1A0748?
The CAS number of KST-1A0748 is 116505-60-3.
What is the molecular formula of KST-1A0748?
The molecular formula of KST-1A0748 is C21H25N3O3.
What is the molecular weight of KST-1A0748?
The molecular weight of KST-1A0748 is 367.19 g/mol.
Where can I buy KST-1A0748?
You can request a quote for KST-1A0748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0748?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.