Dothistromin
TL;DR: Dothistromin (CAS 31456-72-1) is a chemical compound with molecular formula C18H12O9 and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,6R,8S)-2,4,6,15,18-pentahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaene-13,20-dione
Also Known As: Dothistromin, Dothistromin (1), (2r,3ar,12as)-2,3a,4,6,9-pentahydroxy-2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione, Anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 2,3,3a,12a-tetrahydro-2,3a,4,6,9-pentahydroxy-, (2R,3aR,12aS)-, (4R,6R,8S)-2,4,6,15,18-pentahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaene-13,20-dione
| Molecular Formula | C18H12O9 |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 372.04813 |
| Heavy Atoms | 27 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 31456-72-1 |
|---|---|
| SMILES | C1[C@@H](O[C@H]2[C@@]1(C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C=CC(=C5C4=O)O)O)O)O |
| InChIKey | FBPGRTYADYGYRG-AHBCHLHISA-N |
Product Overview
Dothistromin (CAS 31456-72-1), with molecular formula C18H12O9 and molecular weight 372.05 g/mol. IUPAC: (4R,6R,8S)-2,4,6,15,18-pentahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaene-13,20-dione.
Chemical Property Profile of Dothistromin
Property Insights of Dothistromin
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dothistromin. The TPSA of 154.0 Ų indicates high polarity, suggesting Dothistromin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dothistromin has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dothistromin?
The CAS number of Dothistromin is 31456-72-1.
What is the molecular formula of Dothistromin?
The molecular formula of Dothistromin is C18H12O9.
What is the molecular weight of Dothistromin?
The molecular weight of Dothistromin is 372.05 g/mol.
Where can I buy Dothistromin?
You can request a quote for Dothistromin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dothistromin?
Yes, KEHONG BIO provides custom synthesis services for Dothistromin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.