Bisdihydrobrusatolyl succinate
TL;DR: Bisdihydrobrusatolyl succinate (CAS 81612-57-9) is a chemical compound with molecular formula C56H70O24 and molecular weight 1126.43 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-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-10-yl] butanedioate
Also Known As: Bisdihydrobrusatolyl succinate, Picras-3-en-21-oic acid, 3,3'-((1,4-dioxo-1,4-butanediyl)bis(oxy))bis(13,20-epoxy-11,12-dihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, dimethyl ester, (11beta,12alpha,15beta)-(11'beta,12'alpha,15'beta)-
| Molecular Formula | C56H70O24 |
|---|---|
| Molecular Weight | 1126.43 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 344.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 19 |
| Exact Mass | 1126.4257 |
| Heavy Atoms | 80 |
| Complexity | 2630.0 |
Chemical Identifiers
| CAS Number | 81612-57-9 |
|---|---|
| SMILES | CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)OC(=O)CCC(=O)OC6=C(C7CC8C91COC(C9C(C(=O)O8)OC(=O)CC(C)C)(C(C(C1C7(CC6=O)C)O)O)C(=O)OC)C |
| InChIKey | USBSMPUYXKBFQC-UHFFFAOYSA-N |
Product Overview
Bisdihydrobrusatolyl succinate (CAS 81612-57-9), with molecular formula C56H70O24 and molecular weight 1126.43 g/mol. IUPAC: bis[15,16-dihydroxy-17-methoxycarbonyl-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-10-yl] butanedioate.
Chemical Property Profile of Bisdihydrobrusatolyl succinate
Property Insights of Bisdihydrobrusatolyl succinate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bisdihydrobrusatolyl succinate. The TPSA of 344.0 Ų indicates high polarity, suggesting Bisdihydrobrusatolyl succinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bisdihydrobrusatolyl succinate 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 Bisdihydrobrusatolyl succinate?
The CAS number of Bisdihydrobrusatolyl succinate is 81612-57-9.
What is the molecular formula of Bisdihydrobrusatolyl succinate?
The molecular formula of Bisdihydrobrusatolyl succinate is C56H70O24.
What is the molecular weight of Bisdihydrobrusatolyl succinate?
The molecular weight of Bisdihydrobrusatolyl succinate is 1126.43 g/mol.
Where can I buy Bisdihydrobrusatolyl succinate?
You can request a quote for Bisdihydrobrusatolyl succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bisdihydrobrusatolyl succinate?
Yes, KEHONG BIO provides custom synthesis services for Bisdihydrobrusatolyl succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.