Desacetylduclauxin
TL;DR: Desacetylduclauxin (CAS 7551-03-3) is a chemical compound with molecular formula C27H20O10 and molecular weight 504.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,19,24-trihydroxy-13-methoxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone
Also Known As: Desacetylduclauxin, 7H-8,15b-Methano-1H,3H,12H-benzo(de)cyclohepta(1,2-g:3,4,5-d'e')bis(2)benzopyran-3,7,12,15(8H)-tetrone, 8a,15a-dihydro-4,11,16-trihydroxy-8a-methoxy-6,9-dimethyl-, (8R-(8alpha,8abeta,15abeta,15balpha,16S*))-, 9,19,24-trihydroxy-13-methoxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone, 4,11,16-Trihydroxy-8a-methoxy-6,9-dimethyl-8a,15a-dihydro-1H,3H,7H,12H-8,15b-methanopyrano[3'',4'',5'':4',5']naphtho[1',2':6,7]cyclohepta[1,2,3-de][2]benzopyran-3,7,12,15(8H)-tetrone
| Molecular Formula | C27H20O10 |
|---|---|
| Molecular Weight | 504.11 g/mol |
| LogP | 1.77064 |
| Topological Polar Surface Area | 160.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 504.10565 |
| Heavy Atoms | 37 |
| Complexity | 1731.67 |
Chemical Identifiers
| CAS Number | 7551-03-3 |
|---|---|
| SMILES | CC1=CC(=C2C3=C1C(=O)C4C(C3(COC2=O)C5C4(C6=C7C(=COC(=O)C7=C(C=C6C)O)C5=O)OC)O)O |
Product Overview
Desacetylduclauxin (CAS 7551-03-3), with molecular formula C27H20O10 and molecular weight 504.11 g/mol. IUPAC: 9,19,24-trihydroxy-13-methoxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone.
Chemical Property Profile of Desacetylduclauxin
Property Insights of Desacetylduclauxin
The XLogP value of 1.77064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desacetylduclauxin. The TPSA of 160.57 Ų indicates high polarity, suggesting Desacetylduclauxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desacetylduclauxin has 3 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 Desacetylduclauxin?
The CAS number of Desacetylduclauxin is 7551-03-3.
What is the molecular formula of Desacetylduclauxin?
The molecular formula of Desacetylduclauxin is C27H20O10.
What is the molecular weight of Desacetylduclauxin?
The molecular weight of Desacetylduclauxin is 504.11 g/mol.
Where can I buy Desacetylduclauxin?
You can request a quote for Desacetylduclauxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desacetylduclauxin?
Yes, KEHONG BIO provides custom synthesis services for Desacetylduclauxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.