KST-1A0959
TL;DR: KST-1A0959 (CAS 126077-63-2) is a chemical compound with molecular formula C20H22N2O8 and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetamido-3-acetyloxy-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl acetate
Also Known As: KST-1A0959, [2-(acetylamino)-1-(acetyloxy)-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1h-pyrrolo[1,2-a]indol-9-yl]methyl acetate, (2-acetamido-3-acetyloxy-6-methoxy-7-methyl-5,8-dioxo-2,3-di, 2-Acetylamino-10-O-acetyl-1-acetoxy-7-methoxy-decarbamoyl-mitosen, (2-acetamido-3-acetyloxy-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl acetate
| Molecular Formula | C20H22N2O8 |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.1376 |
| Heavy Atoms | 30 |
| Complexity | 835.0 |
Chemical Identifiers
| CAS Number | 126077-63-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)C)OC(=O)C)NC(=O)C)OC |
| InChIKey | RBSVQLFABAKECO-UHFFFAOYSA-N |
Product Overview
KST-1A0959 (CAS 126077-63-2), with molecular formula C20H22N2O8 and molecular weight 418.14 g/mol. IUPAC: (2-acetamido-3-acetyloxy-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl acetate.
Chemical Property Profile of KST-1A0959
Property Insights of KST-1A0959
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A0959. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0959. Following Lipinski's Rule of Five, KST-1A0959 has 1 hydrogen bond donor(s) and 8 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-1A0959?
The CAS number of KST-1A0959 is 126077-63-2.
What is the molecular formula of KST-1A0959?
The molecular formula of KST-1A0959 is C20H22N2O8.
What is the molecular weight of KST-1A0959?
The molecular weight of KST-1A0959 is 418.14 g/mol.
Where can I buy KST-1A0959?
You can request a quote for KST-1A0959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0959?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.