Kakkanin
TL;DR: Kakkanin (CAS 63770-91-2) is a chemical compound with molecular formula C27H30O14 and molecular weight 578.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Also Known As: Kakkanin, 5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-chromen-4-one, 5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one, BIOCHANIN A 7-O-B-D-XYLOPYRANOSYL,B-D-GLUCOPYRANOSIDE, 5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-pentopyranosylhexopyranoside
| Molecular Formula | C27H30O14 |
|---|---|
| Molecular Weight | 578.16 g/mol |
| LogP | -1.1838 |
| Topological Polar Surface Area | 217.97 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 578.1636 |
| Heavy Atoms | 41 |
| Complexity | 1407.6287 |
Chemical Identifiers
| CAS Number | 63770-91-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O |
Product Overview
Kakkanin (CAS 63770-91-2), with molecular formula C27H30O14 and molecular weight 578.16 g/mol. IUPAC: 5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Kakkanin
Property Insights of Kakkanin
The XLogP value of -1.1838 indicates that Kakkanin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 217.97 Ų indicates high polarity, suggesting Kakkanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kakkanin has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kakkanin?
The CAS number of Kakkanin is 63770-91-2.
What is the molecular formula of Kakkanin?
The molecular formula of Kakkanin is C27H30O14.
What is the molecular weight of Kakkanin?
The molecular weight of Kakkanin is 578.16 g/mol.
Where can I buy Kakkanin?
You can request a quote for Kakkanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kakkanin?
Yes, KEHONG BIO provides custom synthesis services for Kakkanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.