Pteroidine
TL;DR: Pteroidine (CAS 90042-99-2) is a chemical compound with molecular formula C28H37ClO12 and molecular weight 600.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4R,5R,7S,8R,9S,11S,13S,14R,17R)-2,7,9-triacetyloxy-13-chloro-11-hydroxy-4,8,17-trimethyl-12-methylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-5-yl] acetate
Also Known As: Pteroidine, Pteroidin, (1R,3aR,4S,6S,8S,8aR,9S,11R,12R,12aS,13S)-4-chloro-6-hydroxy-1,8a,12-trimethyl-5-methylidene-2-oxotetradecahydro-3aH-6,13a-epoxybenzo[4,5]cyclodeca[1,2-b]furan-8,9,11,13-tetrayl tetraacetate, 4-Chloro-6-hydroxy-1,8a,12-trimethyl-5-methylidene-2-oxotetradecahydro-3aH-6,13a-epoxybenzo[4,5]cyclodeca[1,2-b]furan-8,9,11,13-tetrayl tetraacetate, 5H-6,13a-Epoxybenzo(4,5)cyclodeca(1,2-b)furan-2(1H)-one, 8,9,11,13-tetrakis(acetyloxy)-4-chlorododecahydro-6-hydroxy-1,8a,12-trimethyl-5-methylene-, (1R,3aR,4S,6S,8S,8aR,9S,11R,12R,12aS,13S,13aR)-
| Molecular Formula | C28H37ClO12 |
|---|---|
| Molecular Weight | 600.20 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 600.1973 |
| Heavy Atoms | 41 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 90042-99-2 |
|---|---|
| SMILES | C[C@H]1[C@@H](C[C@@H]([C@]2([C@H]1[C@@H](C34[C@H](C(=O)O[C@H]3[C@H](C(=C)[C@@](O4)(C[C@@H]2OC(=O)C)O)Cl)C)OC(=O)C)C)OC(=O)C)OC(=O)C |
| InChIKey | BAKGCTQQJJBYLU-XAIGFXQASA-N |
Product Overview
Pteroidine (CAS 90042-99-2), with molecular formula C28H37ClO12 and molecular weight 600.20 g/mol. IUPAC: [(2S,3S,4R,5R,7S,8R,9S,11S,13S,14R,17R)-2,7,9-triacetyloxy-13-chloro-11-hydroxy-4,8,17-trimethyl-12-methylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-5-yl] acetate.
Chemical Property Profile of Pteroidine
Property Insights of Pteroidine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pteroidine. The TPSA of 161.0 Ų indicates high polarity, suggesting Pteroidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pteroidine has 1 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 Pteroidine?
The CAS number of Pteroidine is 90042-99-2.
What is the molecular formula of Pteroidine?
The molecular formula of Pteroidine is C28H37ClO12.
What is the molecular weight of Pteroidine?
The molecular weight of Pteroidine is 600.20 g/mol.
Where can I buy Pteroidine?
You can request a quote for Pteroidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pteroidine?
Yes, KEHONG BIO provides custom synthesis services for Pteroidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.