Callystatin A
TL;DR: Callystatin A (CAS 189883-16-7) is a chemical compound with molecular formula C29H44O4 and molecular weight 456.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(5R,11R,13S,14R,15S)-3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
Also Known As: Callystatin A, NCI60_038362, (2R)-2-[(5R,11R,13S,14R,15S)-3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one, (6R)-6-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxo-heptadeca-1,3,7,9-tetraenyl]-5,6-dihydropyran-2-one, (6r)-6-[(5r,11r,13s,14r,15s)-3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxo-heptadeca-1,3,7,9-tetraenyl]-5,6-dihydropyran-2-one
| Molecular Formula | C29H44O4 |
|---|---|
| Molecular Weight | 456.32 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 456.32397 |
| Heavy Atoms | 33 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 189883-16-7 |
|---|---|
| SMILES | CC[C@H](C)[C@H]([C@H](C)C(=O)[C@H](C)C=C(C)C=CC[C@@H](C)C=C(CC)C=C[C@H]1CC=CC(=O)O1)O |
| InChIKey | QPJTWGLLJWBDQW-RRYPXJEMSA-N |
Product Overview
Callystatin A (CAS 189883-16-7), with molecular formula C29H44O4 and molecular weight 456.32 g/mol. IUPAC: (2R)-2-[(5R,11R,13S,14R,15S)-3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one.
Chemical Property Profile of Callystatin A
Property Insights of Callystatin A
The XLogP value of 7.5 indicates that Callystatin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Callystatin A. Following Lipinski's Rule of Five, Callystatin A has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Callystatin A?
The CAS number of Callystatin A is 189883-16-7.
What is the molecular formula of Callystatin A?
The molecular formula of Callystatin A is C29H44O4.
What is the molecular weight of Callystatin A?
The molecular weight of Callystatin A is 456.32 g/mol.
Where can I buy Callystatin A?
You can request a quote for Callystatin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Callystatin A?
Yes, KEHONG BIO provides custom synthesis services for Callystatin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.