Duclauxin
TL;DR: Duclauxin (CAS 1732-37-2) is a chemical compound with molecular formula C29H22O11 and molecular weight 546.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-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-heptaen-24-yl) acetate
Also Known As: Duclauxin, (9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-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-heptaen-24-yl) acetate, [(1S,2R,24R)-9,19-Dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-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-heptaen-24-yl] acetate, (8R,16S)-16-Acetoxy-8a,15abeta-dihydro-4,11-dihydroxy-8abeta-methoxy-6,9-dimethyl-7H-8,15balpha-methano-1H,3H,12H-benzo[de]cyclohepta[1,2-g:3,4,5-d'e']bis[2]benzopyran-3,7,12,15(8H)-tetrone, (9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-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-heptaen-24-yl) acetate
| Molecular Formula | C29H22O11 |
|---|---|
| Molecular Weight | 546.12 g/mol |
| LogP | 2.34144 |
| Topological Polar Surface Area | 166.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 546.1162 |
| Heavy Atoms | 40 |
| Complexity | 1849.1074 |
Chemical Identifiers
| CAS Number | 1732-37-2 |
|---|---|
| SMILES | CC1=CC(=C2C3=C1C(=O)C4C(C3(COC2=O)C5C4(C6=C7C(=COC(=O)C7=C(C=C6C)O)C5=O)OC)OC(=O)C)O |
Product Overview
Duclauxin (CAS 1732-37-2), with molecular formula C29H22O11 and molecular weight 546.12 g/mol. IUPAC: (9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-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-heptaen-24-yl) acetate.
Chemical Property Profile of Duclauxin
Property Insights of Duclauxin
The XLogP value of 2.34144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Duclauxin. The TPSA of 166.64 Ų indicates high polarity, suggesting Duclauxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Duclauxin has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Duclauxin?
The CAS number of Duclauxin is 1732-37-2.
What is the molecular formula of Duclauxin?
The molecular formula of Duclauxin is C29H22O11.
What is the molecular weight of Duclauxin?
The molecular weight of Duclauxin is 546.12 g/mol.
Where can I buy Duclauxin?
You can request a quote for Duclauxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Duclauxin?
Yes, KEHONG BIO provides custom synthesis services for Duclauxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.