Calpastatin
TL;DR: Calpastatin (CAS 79079-11-1) is a chemical compound with molecular formula C23H22O11 and molecular weight 474.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate
Also Known As: Calpastatin, Acacetin-7-O-glucuronide methyl ester, beta-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, methyl ester, 5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl methyl D-glucopyranosiduronate, 5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl methyl hexopyranosiduronate
| Molecular Formula | C23H22O11 |
|---|---|
| Molecular Weight | 474.12 g/mol |
| LogP | 0.5336 |
| Topological Polar Surface Area | 165.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.1162 |
| Heavy Atoms | 34 |
| Complexity | 1250.2463 |
Chemical Identifiers
| CAS Number | 79079-11-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)O)O)O)O |
Product Overview
Calpastatin (CAS 79079-11-1), with molecular formula C23H22O11 and molecular weight 474.12 g/mol. IUPAC: methyl (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate.
Chemical Property Profile of Calpastatin
Property Insights of Calpastatin
The XLogP value of 0.5336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calpastatin. The TPSA of 165.12 Ų indicates high polarity, suggesting Calpastatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calpastatin has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calpastatin?
The CAS number of Calpastatin is 79079-11-1.
What is the molecular formula of Calpastatin?
The molecular formula of Calpastatin is C23H22O11.
What is the molecular weight of Calpastatin?
The molecular weight of Calpastatin is 474.12 g/mol.
Where can I buy Calpastatin?
You can request a quote for Calpastatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calpastatin?
Yes, KEHONG BIO provides custom synthesis services for Calpastatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.