KST-1B0190
TL;DR: KST-1B0190 (CAS 13179-02-7) is a chemical compound with molecular formula C21H22N4O6 and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[11-(2-hydroxyanilino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Also Known As: KST-1B0190, {6-[(2-hydroxyphenyl)amino]-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl}methyl carbamate, 1,1a,2,8,8a,8b-Hexahydro-6-hydroxyphenylamino-8a-methoxy-5-methylazirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, [6-(2-Hydroxyanilino)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate, [6-(2-Hydroxyanilino)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
| Molecular Formula | C21H22N4O6 |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.15393 |
| Heavy Atoms | 31 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 13179-02-7 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)NC5=CC=CC=C5O |
| InChIKey | SIBIHSDUBSGCMI-UHFFFAOYSA-N |
Product Overview
KST-1B0190 (CAS 13179-02-7), with molecular formula C21H22N4O6 and molecular weight 426.15 g/mol. IUPAC: [11-(2-hydroxyanilino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.
Chemical Property Profile of KST-1B0190
Property Insights of KST-1B0190
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B0190. The TPSA of 153.0 Ų indicates high polarity, suggesting KST-1B0190 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B0190 has 4 hydrogen bond donor(s) and 9 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-1B0190?
The CAS number of KST-1B0190 is 13179-02-7.
What is the molecular formula of KST-1B0190?
The molecular formula of KST-1B0190 is C21H22N4O6.
What is the molecular weight of KST-1B0190?
The molecular weight of KST-1B0190 is 426.15 g/mol.
Where can I buy KST-1B0190?
You can request a quote for KST-1B0190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B0190?
Yes, KEHONG BIO provides custom synthesis services for KST-1B0190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.