Triocacarcinone A
TL;DR: Triocacarcinone A (CAS 81552-35-4) is a chemical compound with molecular formula C25H26O12 and molecular weight 518.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
19-(dimethoxymethyl)-8,10,13,17-tetrahydroxy-6-methoxy-3-methylspiro[16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaene-18,2'-oxirane]-11-one
Also Known As: Triocacarcinone A, Trioxacarcin A(sub 2), DC-45 A(sub 2), Antibiotic DC 45 A(sub 2), 19-(dimethoxymethyl)-8,10,13,17-tetrahydroxy-6-methoxy-3-methylspiro[16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaene-18,2'-oxirane]-11-one
| Molecular Formula | C25H26O12 |
|---|---|
| Molecular Weight | 518.14 g/mol |
| LogP | 0.47842 |
| Topological Polar Surface Area | 165.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.14246 |
| Heavy Atoms | 37 |
| Complexity | 1380.2098 |
Chemical Identifiers
| CAS Number | 81552-35-4 |
|---|---|
| SMILES | CC1=CC2=C(C(=C3C(=C2OC)C(CC(C3=O)O)O)O)C4=C1C5C6C(O4)(C7(CO7)C(O5)(O6)C(OC)OC)O |
Product Overview
Triocacarcinone A (CAS 81552-35-4), with molecular formula C25H26O12 and molecular weight 518.14 g/mol. IUPAC: 19-(dimethoxymethyl)-8,10,13,17-tetrahydroxy-6-methoxy-3-methylspiro[16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaene-18,2'-oxirane]-11-one.
Chemical Property Profile of Triocacarcinone A
Property Insights of Triocacarcinone A
The XLogP value of 0.47842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triocacarcinone A. The TPSA of 165.9 Ų indicates high polarity, suggesting Triocacarcinone A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triocacarcinone A has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triocacarcinone A?
The CAS number of Triocacarcinone A is 81552-35-4.
What is the molecular formula of Triocacarcinone A?
The molecular formula of Triocacarcinone A is C25H26O12.
What is the molecular weight of Triocacarcinone A?
The molecular weight of Triocacarcinone A is 518.14 g/mol.
Where can I buy Triocacarcinone A?
You can request a quote for Triocacarcinone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triocacarcinone A?
Yes, KEHONG BIO provides custom synthesis services for Triocacarcinone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.