Kuwanon I
TL;DR: Kuwanon I (CAS 81381-68-2) is a chemical compound with molecular formula C40H38O10 and molecular weight 678.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[3-[(1S,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
Also Known As: Kuwanon I, 2-Propen-1-one, 1-(3-((1S,5R,6S)-6-(2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2,4-dihydroxyphenyl)-3-(2,4-dihydroxyphenyl)-, (2E)-, (E)-1-[3-[(1S,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
| Molecular Formula | C40H38O10 |
|---|---|
| Molecular Weight | 678.25 g/mol |
| LogP | 7.4527 |
| Topological Polar Surface Area | 195.98 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 678.2465 |
| Heavy Atoms | 50 |
| Complexity | 2084.3997 |
Chemical Identifiers
| CAS Number | 81381-68-2 |
|---|---|
| SMILES | CC1=C[C@@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)/C=C/C5=C(C=C(C=C5)O)O)O |
Product Overview
Kuwanon I (CAS 81381-68-2), with molecular formula C40H38O10 and molecular weight 678.25 g/mol. IUPAC: (E)-1-[3-[(1S,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one.
Chemical Property Profile of Kuwanon I
Property Insights of Kuwanon I
The XLogP value of 7.4527 indicates that Kuwanon I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.98 Ų indicates high polarity, suggesting Kuwanon I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kuwanon I has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kuwanon I?
The CAS number of Kuwanon I is 81381-68-2.
What is the molecular formula of Kuwanon I?
The molecular formula of Kuwanon I is C40H38O10.
What is the molecular weight of Kuwanon I?
The molecular weight of Kuwanon I is 678.25 g/mol.
Where can I buy Kuwanon I?
You can request a quote for Kuwanon I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kuwanon I?
Yes, KEHONG BIO provides custom synthesis services for Kuwanon I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.