Didethiodi(methylthio)acetylaranotin
TL;DR: Didethiodi(methylthio)acetylaranotin (CAS 20485-02-3) is a chemical compound with molecular formula C24H26N2O8S2 and molecular weight 534.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,4S,5S,12R,15S,16S)-16-acetyloxy-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.03,12.04,10.015,21]docosa-6,9,17,20-tetraen-5-yl] acetate
Also Known As: LL-S 88beta, Didethiodi(methylthio)acetylaranotin, 7H,15H-Bisoxepino(3',4':4,5)pyrrolo(1,2-a:1',2'-d)pyrazine-7,15-dione, 5,13-bis(acetyloxy)-5,5a,7a,8,13,13a,15a,16-octahydro-7a,15a-bis(methylthio)-, (5S-(5alpha,5aalpha,7abeta,13alpha,15abeta))-
| Molecular Formula | C24H26N2O8S2 |
|---|---|
| Molecular Weight | 534.11 g/mol |
| LogP | 2.0394 |
| Topological Polar Surface Area | 111.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 534.11304 |
| Heavy Atoms | 36 |
| Complexity | 1060.9381 |
Chemical Identifiers
| CAS Number | 20485-02-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1C=COC=C2[C@@H]1N3C(=O)[C@@]4(CC5=COC=C[C@@H]([C@H]5N4C(=O)[C@@]3(C2)SC)OC(=O)C)SC |
Product Overview
Didethiodi(methylthio)acetylaranotin (CAS 20485-02-3), with molecular formula C24H26N2O8S2 and molecular weight 534.11 g/mol. IUPAC: [(1R,4S,5S,12R,15S,16S)-16-acetyloxy-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.03,12.04,10.015,21]docosa-6,9,17,20-tetraen-5-yl] acetate.
Chemical Property Profile of Didethiodi(methylthio)acetylaranotin
Property Insights of Didethiodi(methylthio)acetylaranotin
The XLogP value of 2.0394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Didethiodi(methylthio)acetylaranotin. The TPSA of 111.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Didethiodi(methylthio)acetylaranotin. Following Lipinski's Rule of Five, Didethiodi(methylthio)acetylaranotin has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Didethiodi(methylthio)acetylaranotin?
The CAS number of Didethiodi(methylthio)acetylaranotin is 20485-02-3.
What is the molecular formula of Didethiodi(methylthio)acetylaranotin?
The molecular formula of Didethiodi(methylthio)acetylaranotin is C24H26N2O8S2.
What is the molecular weight of Didethiodi(methylthio)acetylaranotin?
The molecular weight of Didethiodi(methylthio)acetylaranotin is 534.11 g/mol.
Where can I buy Didethiodi(methylthio)acetylaranotin?
You can request a quote for Didethiodi(methylthio)acetylaranotin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Didethiodi(methylthio)acetylaranotin?
Yes, KEHONG BIO provides custom synthesis services for Didethiodi(methylthio)acetylaranotin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.