Spongistatin 1
TL;DR: Spongistatin 1 (CAS 148179-94-6) is a chemical compound with molecular formula C63H95ClO21 and molecular weight 1222.6055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[37-acetyloxy-11-[(5E)-7-chloro-4-hydroxy-2-methylideneocta-5,7-dienyl]-10,14,15,17,27,43-hexahydroxy-31-methoxy-18,36,38,43,47-pentamethyl-39-methylidene-7,35-dioxo-8,12,45,46,48,49,50-heptaoxaheptacyclo[39.3.1.11,5.19,13.115,19.125,29.129,33]pentacont-23-en-3-yl] acetate
Also Known As: Spongistatin 1, Altohyrtin A, [37-Acetyloxy-11-[(5E)-7-chloro-4-hydroxy-2-methylideneocta-5,7-dienyl]-10,14,15,17,27,43-hexahydroxy-31-methoxy-18,36,38,43,47-pentamethyl-39-methylidene-7,35-dioxo-8,12,45,46,48,49,50-heptaoxaheptacyclo[39.3.1.11,5.19,13.115,19.125,29.129,33]pentacont-23-en-3-yl] acetate, 8,12,45,46,47,48,50-Heptaoxaheptacyclo(39.3.1.1(1,5).1(9,13).1(15,19).1(25,29).1(29,33))pentacont-23-ene-7,35-dione, 3,37-bis(acetyloxy)-11-(7-chloro-4-hydroxy-2-methylene-5,7-octadienyl)-10,14,15,17,27,43-hexahydroxy-31-methoxy-18,36,38,43,49-pentamethyl, 8,12,45,46,47,48,50-Heptaoxaheptacyclo(39.3.1.1(1,5).1(9,13).1(15,19).1(25,29).1(29,33))pentacont-23-ene-7,35-dione, 3,37-bis(acetyloxy)-11-(7-chloro-4-hydroxy-2-methylene-5,7-octadienyl)-10,14,15,17,27,43-hexahydroxy-31-methoxy-18,36,38,43,49-pentamethyl-39-methylene-
Technical Specifications
| Molecular Formula | C63H95ClO21 |
| Molecular Weight | 1222.6055 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 302.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 11 |
| Exact Mass | 1222.6055 Da |
| Heavy Atoms | 85 |
| Complexity | 2440.0 |
| SMILES | CC1C2CCCC=CC3CC(CC4(C3C)CC(CC(O4)CC(=O)C(C(C(C(=C)CC5CC(CC6(O5)CC(CC(O6)CC(=O)OC7C(C(OC(O7)C(C(O2)(CC1O)O)O)CC(=C)CC(/C=C/C(=C)Cl)O)O)OC(=O)C)(C)O)C)OC(=O)C)C)OC)O |
| InChIKey | OBLCEVLAQAFINR-CMVVSLHSSA-N |
Chemical Property Profile of Spongistatin 1
Property Insights of Spongistatin 1
The XLogP value of 5.3 indicates that Spongistatin 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 302.0 Ų indicates high polarity, suggesting Spongistatin 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spongistatin 1 has 7 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Spongistatin 1?
The CAS number of Spongistatin 1 is 148179-94-6.
What is the molecular formula of Spongistatin 1?
The molecular formula of Spongistatin 1 is C63H95ClO21.
What is the molecular weight of Spongistatin 1?
The molecular weight of Spongistatin 1 is 1222.6055 g/mol.
Where can I buy Spongistatin 1?
You can request a quote for Spongistatin 1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Spongistatin 1?
Yes, CoreyChem provides custom synthesis services for Spongistatin 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.