Morellin
TL;DR: Morellin (CAS 1183-12-6) is a chemical compound with molecular formula C33H36O7 and molecular weight 544.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-[(2S)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal
Also Known As: Morellin, EINECS 214-662-5, 1,5-Methano-11H-furo(3,2-g)pyrano(3,2-b)xanthene-3a(4H)-crotonaldehyde, 1,2,5,7-tetrahydro-8-hydroxy-alpha,2,2,11,11-pentamethyl-13-(3-methyl-2-butenyl)-4,7-dioxo-, trans-, 1,5-Methano-11H-furo[3,2-g]pyrano[3,2-b]xanthene-3a(4H)-crotonaldehyde, 1,2,5,7-tetrahydro-8-hydroxy-.alpha.,2,2,11,11-pentamethyl-13-(3-methyl-2-butenyl)-4,7-dioxo-, trans-, 2-Butenal, 2-methyl-4-(3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo(3,4-g)pyrano(3,2-b)xanthen-1-yl)-, (1R-(1alpha,1(Z),3abeta,5alp
| Molecular Formula | C33H36O7 |
|---|---|
| Molecular Weight | 544.25 g/mol |
| LogP | 5.6271 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 544.2461 |
| Heavy Atoms | 40 |
| Complexity | 1513.383 |
Chemical Identifiers
| CAS Number | 1183-12-6 |
|---|---|
| SMILES | CC(=CCC1=C2C(=C(C3=C1O[C@@]45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)C/C=C(/C)\C=O)O)C=CC(O2)(C)C)C |
Product Overview
Morellin (CAS 1183-12-6), with molecular formula C33H36O7 and molecular weight 544.25 g/mol. IUPAC: (Z)-4-[(2S)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal.
Chemical Property Profile of Morellin
Property Insights of Morellin
The XLogP value of 5.6271 indicates that Morellin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Morellin. Following Lipinski's Rule of Five, Morellin has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Morellin?
The CAS number of Morellin is 1183-12-6.
What is the molecular formula of Morellin?
The molecular formula of Morellin is C33H36O7.
What is the molecular weight of Morellin?
The molecular weight of Morellin is 544.25 g/mol.
Where can I buy Morellin?
You can request a quote for Morellin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Morellin?
Yes, KEHONG BIO provides custom synthesis services for Morellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.