Deoxymorellin
TL;DR: Deoxymorellin (CAS 1064-34-2) is a chemical compound with molecular formula C33H38O6 and molecular weight 530.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-hydroxy-8,8,21,21-tetramethyl-5,19-bis(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione
Also Known As: Deoxymorellin, Desoxymorellin, Morellin, deoxy-, 12-hydroxy-8,8,21,21-tetramethyl-5,19-bis(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione, 1,5-Methano-1H,7H,11H-furo[3,4-g]pyrano[3,2-b]xanthene-7,15-dione, 3,3a,4,5-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-1,13-bis(3-methyl-2-buten-1-yl)-, (1R,3aS,5S,14aS)-
| Molecular Formula | C33H38O6 |
|---|---|
| Molecular Weight | 530.27 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 530.26685 |
| Heavy Atoms | 39 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 1064-34-2 |
|---|---|
| SMILES | CC(=CCC1=C2C(=C(C3=C1OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C)O)C=CC(O2)(C)C)C |
| InChIKey | VZQQLPACAVHZQT-UHFFFAOYSA-N |
Product Overview
Deoxymorellin (CAS 1064-34-2), with molecular formula C33H38O6 and molecular weight 530.27 g/mol. IUPAC: 12-hydroxy-8,8,21,21-tetramethyl-5,19-bis(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione.
Chemical Property Profile of Deoxymorellin
Property Insights of Deoxymorellin
The XLogP value of 6.7 indicates that Deoxymorellin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxymorellin. Following Lipinski's Rule of Five, Deoxymorellin has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deoxymorellin?
The CAS number of Deoxymorellin is 1064-34-2.
What is the molecular formula of Deoxymorellin?
The molecular formula of Deoxymorellin is C33H38O6.
What is the molecular weight of Deoxymorellin?
The molecular weight of Deoxymorellin is 530.27 g/mol.
Where can I buy Deoxymorellin?
You can request a quote for Deoxymorellin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxymorellin?
Yes, KEHONG BIO provides custom synthesis services for Deoxymorellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.