Integracide A
TL;DR: Integracide A (CAS 126416-88-4) is a chemical compound with molecular formula C32H50O8S and molecular weight 594.32263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,5R,10S,11R,12R,13R,17R)-2,11-dihydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-3-sulfooxy-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate
Also Known As: Integracide A, A-108835, L-681512-1, A 108835, [(2R,3R,5R,10S,11R,12R,13R,17R)-2,11-dihydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-3-sulfooxy-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate
Technical Specifications
| Molecular Formula | C32H50O8S |
| Molecular Weight | 594.32263 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 594.32263 Da |
| Heavy Atoms | 41 |
| Complexity | 1240.0 |
| SMILES | C[C@H](CCC(=C)C(C)C)[C@H]1CC=C2[C@@]1([C@H]([C@@H](C3=C2CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)OS(=O)(=O)O)O)C)O)OC(=O)C)C |
| InChIKey | BGABDSBXSCYPTK-PGHPLGCHSA-N |
Chemical Property Profile of Integracide A
Property Insights of Integracide A
The XLogP value of 5.3 indicates that Integracide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Integracide A. Following Lipinski's Rule of Five, Integracide A has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Integracide A?
The CAS number of Integracide A is 126416-88-4.
What is the molecular formula of Integracide A?
The molecular formula of Integracide A is C32H50O8S.
What is the molecular weight of Integracide A?
The molecular weight of Integracide A is 594.32263 g/mol.
Where can I buy Integracide A?
You can request a quote for Integracide A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Integracide A?
Yes, CoreyChem provides custom synthesis services for Integracide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.