3',4'-Dehydro-4'-deoxydothistromin
TL;DR: 3',4'-Dehydro-4'-deoxydothistromin (CAS 5455-01-6) is a chemical compound with molecular formula C18H10O8 and molecular weight 354.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,8R)-2,4,15,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaene-13,20-dione
Also Known As: DDDTT, 2,3-didehydro-2-deoxydothistromin, 3',4'-Dehydro-4'-deoxydothistromin, Anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 3a,12a-dihydro-3a,4,6,9-tetrahydroxy-, (3aR-cis)-, (4R,8R)-2,4,15,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaene-13,20-dione
| Molecular Formula | C18H10O8 |
|---|---|
| Molecular Weight | 354.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 354.03757 |
| Heavy Atoms | 26 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 5455-01-6 |
|---|---|
| SMILES | C1=CC(=C2C(=C1O)C(=O)C3=CC4=C(C(=C3C2=O)O)[C@@]5(C=CO[C@@H]5O4)O)O |
| InChIKey | XXJIETBHRWEWQE-QZTJIDSGSA-N |
Product Overview
3',4'-Dehydro-4'-deoxydothistromin (CAS 5455-01-6), with molecular formula C18H10O8 and molecular weight 354.04 g/mol. IUPAC: (4R,8R)-2,4,15,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaene-13,20-dione.
Chemical Property Profile of 3',4'-Dehydro-4'-deoxydothistromin
Property Insights of 3',4'-Dehydro-4'-deoxydothistromin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3',4'-Dehydro-4'-deoxydothistromin. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3',4'-Dehydro-4'-deoxydothistromin. Following Lipinski's Rule of Five, 3',4'-Dehydro-4'-deoxydothistromin has 4 hydrogen bond donor(s) and 8 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 3',4'-Dehydro-4'-deoxydothistromin?
The CAS number of 3',4'-Dehydro-4'-deoxydothistromin is 5455-01-6.
What is the molecular formula of 3',4'-Dehydro-4'-deoxydothistromin?
The molecular formula of 3',4'-Dehydro-4'-deoxydothistromin is C18H10O8.
What is the molecular weight of 3',4'-Dehydro-4'-deoxydothistromin?
The molecular weight of 3',4'-Dehydro-4'-deoxydothistromin is 354.04 g/mol.
Where can I buy 3',4'-Dehydro-4'-deoxydothistromin?
You can request a quote for 3',4'-Dehydro-4'-deoxydothistromin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',4'-Dehydro-4'-deoxydothistromin?
Yes, KEHONG BIO provides custom synthesis services for 3',4'-Dehydro-4'-deoxydothistromin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.