Praelolide
TL;DR: Praelolide (CAS 86425-67-4) is a chemical compound with molecular formula C28H35ClO12 and molecular weight 598.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4R,7S,8R,9R,10R,11S,13S,14R,17R)-2,9,10-triacetyloxy-13-chloro-8,17-dimethyl-12-methylidene-16-oxospiro[15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecane-4,2'-oxirane]-7-yl] acetate
Also Known As: Praelolide, Prelolide, (1R,2'R,3aR,4S,6S,7R,8R,8aR,9S,12aS,13S)-4-Chloro-1,8a-dimethyl-5-methylidene-2-oxotetradecahydrospiro[6,13a-epoxybenzo[4,5]cyclodeca[1,2-b]furan-12,2'-oxirane]-7,8,9,13-tetrayl tetraacetate, 4-Chloro-1,8a-dimethyl-5-methylidene-2-oxotetradecahydrospiro[6,13a-epoxybenzo[4,5]cyclodeca[1,2-b]furan-12,2'-oxirane]-7,8,9,13-tetrayl tetraacetate, Spiro(12H-6,13a-epoxybenzo(4,5)cyclodeca(1,2-b)furan-12,2'-oxiran)-2(1H)-one, 7,8,9,13-tetrakis(acetyloxy)-4-chlorododecahydro-1,8a-dimethyl-5-methylene-, (1alpha,3abeta,4alpha,6alpha,7alpha,8beta,8abeta,9alpha,12alpha,12aalpha,13beta,13aalpha)-
| Molecular Formula | C28H35ClO12 |
|---|---|
| Molecular Weight | 598.18 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 598.1817 |
| Heavy Atoms | 41 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 86425-67-4 |
|---|---|
| SMILES | C[C@H]1C(=O)O[C@@H]2C13[C@H]([C@@H]4[C@]([C@H](CC[C@]45CO5)OC(=O)C)([C@H]([C@@H]([C@@H](O3)C(=C)[C@@H]2Cl)OC(=O)C)OC(=O)C)C)OC(=O)C |
| InChIKey | VPXKDKFGKRSWEO-VMNMJZNYSA-N |
Product Overview
Praelolide (CAS 86425-67-4), with molecular formula C28H35ClO12 and molecular weight 598.18 g/mol. IUPAC: [(2S,3S,4R,7S,8R,9R,10R,11S,13S,14R,17R)-2,9,10-triacetyloxy-13-chloro-8,17-dimethyl-12-methylidene-16-oxospiro[15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecane-4,2'-oxirane]-7-yl] acetate.
Chemical Property Profile of Praelolide
Property Insights of Praelolide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Praelolide. The TPSA of 153.0 Ų indicates high polarity, suggesting Praelolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Praelolide has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Praelolide?
The CAS number of Praelolide is 86425-67-4.
What is the molecular formula of Praelolide?
The molecular formula of Praelolide is C28H35ClO12.
What is the molecular weight of Praelolide?
The molecular weight of Praelolide is 598.18 g/mol.
Where can I buy Praelolide?
You can request a quote for Praelolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Praelolide?
Yes, KEHONG BIO provides custom synthesis services for Praelolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.