Bisbrusatolyl glutarate
TL;DR: Bisbrusatolyl glutarate (CAS 81617-85-8) is a chemical compound with molecular formula C57H68O24 and molecular weight 1136.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[15,16-dihydroxy-17-methoxycarbonyl-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-10-yl] pentanedioate
Also Known As: Brusatolyl glutarate, Bisbrusatolyl glutarate, Desoxyfructo-L-dopa, Picras-3-en-21-oic acid, 3,3'-((1,5-dioxo-1,5-pentenediyl)bis(oxy))bis(13,20-epoxy-11,12-dihydroxy-15-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxo-, dimethyl ester, (11beta,12alpha,15beta)-(11'beta,12'alpha,15'beta)-
| Molecular Formula | C57H68O24 |
|---|---|
| Molecular Weight | 1136.41 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 344.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 18 |
| Exact Mass | 1136.41 |
| Heavy Atoms | 81 |
| Complexity | 2770.0 |
Chemical Identifiers
| CAS Number | 81617-85-8 |
|---|---|
| SMILES | CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)OC(=O)CCCC(=O)OC6=C(C7CC8C91COC(C9C(C(=O)O8)OC(=O)C=C(C)C)(C(C(C1C7(CC6=O)C)O)O)C(=O)OC)C |
| InChIKey | VVCMENVIMWLIBN-UHFFFAOYSA-N |
Product Overview
Bisbrusatolyl glutarate (CAS 81617-85-8), with molecular formula C57H68O24 and molecular weight 1136.41 g/mol. IUPAC: bis[15,16-dihydroxy-17-methoxycarbonyl-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-10-yl] pentanedioate.
Chemical Property Profile of Bisbrusatolyl glutarate
Property Insights of Bisbrusatolyl glutarate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bisbrusatolyl glutarate. The TPSA of 344.0 Ų indicates high polarity, suggesting Bisbrusatolyl glutarate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bisbrusatolyl glutarate has 4 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bisbrusatolyl glutarate?
The CAS number of Bisbrusatolyl glutarate is 81617-85-8.
What is the molecular formula of Bisbrusatolyl glutarate?
The molecular formula of Bisbrusatolyl glutarate is C57H68O24.
What is the molecular weight of Bisbrusatolyl glutarate?
The molecular weight of Bisbrusatolyl glutarate is 1136.41 g/mol.
Where can I buy Bisbrusatolyl glutarate?
You can request a quote for Bisbrusatolyl glutarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bisbrusatolyl glutarate?
Yes, KEHONG BIO provides custom synthesis services for Bisbrusatolyl glutarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.