Triostan A
TL;DR: Triostan A (CAS 13758-27-5) is a chemical compound with molecular formula C50H62N12O12S2 and molecular weight 1086.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1S,4S,7R,11S,14S,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide
Also Known As: Triostin A, Triostan A, B100928K382, n,n'-[(1s,4s,7r,11s,14s,17s,20r,24s)-11,24-diisopropyl-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexaazabicyclo[12.12.4]triacontane-7,20-diyl]diquinoxaline-2-carboxamide, N-(2-Quinoxalinylcarbonyl)-D-seryl-L-alanyl-N-methyl-L-cysteinyl-N-methyl-L-valine, bimol. lactone, cyclic disulfide
| Molecular Formula | C50H62N12O12S2 |
|---|---|
| Molecular Weight | 1086.41 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 352.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 1086.4052 |
| Heavy Atoms | 76 |
| Complexity | 2010.0 |
Chemical Identifiers
| CAS Number | 13758-27-5 |
|---|---|
| SMILES | C[C@H]1C(=O)N([C@@H]2CSSC[C@H](C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)C |
| InChIKey | GULVULFEAVZHHC-SZZROTLHSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triostan A (CAS 13758-27-5), with molecular formula C50H62N12O12S2 and molecular weight 1086.41 g/mol. IUPAC: N-[(1S,4S,7R,11S,14S,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide.
Chemical Property Profile of Triostan A
Property Insights of Triostan A
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triostan A. The TPSA of 352.0 Ų indicates high polarity, suggesting Triostan A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triostan A has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triostan A?
The CAS number of Triostan A is 13758-27-5.
What is the molecular formula of Triostan A?
The molecular formula of Triostan A is C50H62N12O12S2.
What is the molecular weight of Triostan A?
The molecular weight of Triostan A is 1086.41 g/mol.
Where can I buy Triostan A?
You can request a quote for Triostan A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triostan A?
Yes, KEHONG BIO provides custom synthesis services for Triostan A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.