VM 55597
TL;DR: VM 55597 (CAS 120312-86-9) is a chemical compound with molecular formula C29H37N3O6 and molecular weight 523.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethane;(1'S,6'R,7'R,8R,9'S)-6'-hydroxy-4,4,6',10',10'-pentamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-4',9,14'-trione
Also Known As: VM 55597, Ethane;(1'S,6'R,7'R,8R,9'S)-6'-hydroxy-4,4,6',10',10'-pentamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-4',9,14'-trione, (1'R,5'aS,7'R,8'aS,9'aR)-1'-Hydroxy-1',4,4,8',8'-pentamethyl-8'a,9'-dihydro-1'H,4H,5'H,6'H,8'H-spiro[[1,4]dioxepino[2,3-g]indole-8,7'-[5a,9a](epiminomethano)cyclopenta[f]indolizine]-3',9,10'(2'H,10H)-trione--ethane (1/1)
| Molecular Formula | C29H37N3O6 |
|---|---|
| Molecular Weight | 523.27 g/mol |
| LogP | 3.0067 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 523.26825 |
| Heavy Atoms | 38 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 120312-86-9 |
|---|---|
| SMILES | CC.C[C@]1(CC(=O)N2[C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)C6=C(C7=C(C=C6)OC(C=CO7)(C)C)NC5=O)NC3=O)O |
| InChIKey | CXXKQCZNMITUBK-AWBWIXLGSA-N |
Product Overview
VM 55597 (CAS 120312-86-9), with molecular formula C29H37N3O6 and molecular weight 523.27 g/mol. IUPAC: ethane;(1'S,6'R,7'R,8R,9'S)-6'-hydroxy-4,4,6',10',10'-pentamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-4',9,14'-trione.
Chemical Property Profile of VM 55597
Property Insights of VM 55597
The XLogP value of 3.0067 indicates that VM 55597 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VM 55597. Following Lipinski's Rule of Five, VM 55597 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VM 55597?
The CAS number of VM 55597 is 120312-86-9.
What is the molecular formula of VM 55597?
The molecular formula of VM 55597 is C29H37N3O6.
What is the molecular weight of VM 55597?
The molecular weight of VM 55597 is 523.27 g/mol.
Where can I buy VM 55597?
You can request a quote for VM 55597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VM 55597?
Yes, KEHONG BIO provides custom synthesis services for VM 55597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.