Castalin
TL;DR: Castalin (CAS 19086-75-0) is a chemical compound with molecular formula C27H20O18 and molecular weight 632.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione
Also Known As: Castalin, Castalagin, Vescalin, 7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione, NEOVESCALIN, INTRAMOL. 25,17-ESTER, (15.BETA.)-
| Molecular Formula | C27H20O18 |
|---|---|
| Molecular Weight | 632.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 322.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 1 |
| Exact Mass | 632.06494 |
| Heavy Atoms | 45 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 19086-75-0 |
|---|---|
| SMILES | C1=C2C(=C(C(=C1O)O)O)C3=C4C(=C(C(=C3O)O)O)C5=C6C(=C(C(=C5O)O)O)C(C(C(C(C(OC2=O)CO)O)OC4=O)OC6=O)O |
| InChIKey | PPUHUWSVCUJGTD-UHFFFAOYSA-N |
Product Overview
Castalin (CAS 19086-75-0), with molecular formula C27H20O18 and molecular weight 632.06 g/mol. IUPAC: 7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione.
Chemical Property Profile of Castalin
Property Insights of Castalin
The XLogP value of -0.5 indicates that Castalin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 322.0 Ų indicates high polarity, suggesting Castalin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Castalin has 12 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Castalin?
The CAS number of Castalin is 19086-75-0.
What is the molecular formula of Castalin?
The molecular formula of Castalin is C27H20O18.
What is the molecular weight of Castalin?
The molecular weight of Castalin is 632.06 g/mol.
Where can I buy Castalin?
You can request a quote for Castalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Castalin?
Yes, KEHONG BIO provides custom synthesis services for Castalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.