Bisbrusatolyl succinate
TL;DR: Bisbrusatolyl succinate (CAS 80108-36-7) is a chemical compound with molecular formula C56H66O24 and molecular weight 1122.39 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] butanedioate
Also Known As: Bisbrusatolyl succinate, Antibiotic L 31B, 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-oxo-2-butenyl)oxy)-2,16-dioxo-, dimethyl ester, (11beta,12alpha,13beta,15beta)-(11'beta,12'beta,13'beta,15'beta)-
| Molecular Formula | C56H66O24 |
|---|---|
| Molecular Weight | 1122.39 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 344.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 17 |
| Exact Mass | 1122.3944 |
| Heavy Atoms | 80 |
| Complexity | 2750.0 |
Chemical Identifiers
| CAS Number | 80108-36-7 |
|---|---|
| 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)CCC(=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 | SYESZNPSPDPTHU-UHFFFAOYSA-N |
Product Overview
Bisbrusatolyl succinate (CAS 80108-36-7), with molecular formula C56H66O24 and molecular weight 1122.39 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] butanedioate.
Chemical Property Profile of Bisbrusatolyl succinate
Property Insights of Bisbrusatolyl succinate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bisbrusatolyl succinate. The TPSA of 344.0 Ų indicates high polarity, suggesting Bisbrusatolyl succinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bisbrusatolyl 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 Bisbrusatolyl succinate?
The CAS number of Bisbrusatolyl succinate is 80108-36-7.
What is the molecular formula of Bisbrusatolyl succinate?
The molecular formula of Bisbrusatolyl succinate is C56H66O24.
What is the molecular weight of Bisbrusatolyl succinate?
The molecular weight of Bisbrusatolyl succinate is 1122.39 g/mol.
Where can I buy Bisbrusatolyl succinate?
You can request a quote for Bisbrusatolyl succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bisbrusatolyl succinate?
Yes, KEHONG BIO provides custom synthesis services for Bisbrusatolyl succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.