calyculin A
TL;DR: calyculin A (CAS 101932-71-2) is a chemical compound with molecular formula C50H81N4O15P and molecular weight 1008.5436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl)-9-[3-[2-[4-[[4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-hydroxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] dihydrogen phosphate
Also Known As: calyculin A, hemicalyculin A, Calyculin B, (-)-calyculin A, [(2R,3R,5R,7R,8S,9S)-2-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-hydroxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] dihydrogen phosphate
Technical Specifications
| Molecular Formula | C50H81N4O15P |
| Molecular Weight | 1008.5436 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 287.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Exact Mass | 1008.5436 Da |
| Heavy Atoms | 70 |
| Complexity | 1930.0 |
| SMILES | CC1C(CC2(C(C(C(O2)C(CC(C(C)C(C(C)C=C(C)C(=CC=CC(=CC#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)OC1CC=CC3=COC(=N3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O |
| InChIKey | FKAWLXNLHHIHLA-UHFFFAOYSA-N |
Chemical Property Profile of calyculin A
Property Insights of calyculin A
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for calyculin A. The TPSA of 287.0 Ų indicates high polarity, suggesting calyculin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, calyculin A has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of calyculin A?
The CAS number of calyculin A is 101932-71-2.
What is the molecular formula of calyculin A?
The molecular formula of calyculin A is C50H81N4O15P.
What is the molecular weight of calyculin A?
The molecular weight of calyculin A is 1008.5436 g/mol.
Where can I buy calyculin A?
You can request a quote for calyculin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for calyculin A?
Yes, CoreyChem provides custom synthesis services for calyculin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.