Thiarubrine D
TL;DR: Thiarubrine D (CAS 126624-07-5) is a chemical compound with molecular formula C13H8OS2 and molecular weight 244.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(6-prop-1-ynyldithiin-3-yl)buta-1,3-diynyl]oxirane
Also Known As: Thiarubrine D, thiarubrin d, ThiarubrineD, Thiarubrine A epoxide, 2-[4-(6-prop-1-ynyldithiin-3-yl)buta-1,3-diynyl]oxirane
| Molecular Formula | C13H8OS2 |
|---|---|
| Molecular Weight | 244.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.00166 |
| Heavy Atoms | 16 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 126624-07-5 |
|---|---|
| SMILES | CC#CC1=CC=C(SS1)C#CC#CC2CO2 |
| InChIKey | UNABNUQQYPYJEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiarubrine D (CAS 126624-07-5), with molecular formula C13H8OS2 and molecular weight 244.00 g/mol. IUPAC: 2-[4-(6-prop-1-ynyldithiin-3-yl)buta-1,3-diynyl]oxirane.
Chemical Property Profile of Thiarubrine D
Property Insights of Thiarubrine D
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiarubrine D. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiarubrine D. Following Lipinski's Rule of Five, Thiarubrine D has 0 hydrogen bond donor(s) and 3 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 Thiarubrine D?
The CAS number of Thiarubrine D is 126624-07-5.
What is the molecular formula of Thiarubrine D?
The molecular formula of Thiarubrine D is C13H8OS2.
What is the molecular weight of Thiarubrine D?
The molecular weight of Thiarubrine D is 244.00 g/mol.
Where can I buy Thiarubrine D?
You can request a quote for Thiarubrine D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiarubrine D?
Yes, KEHONG BIO provides custom synthesis services for Thiarubrine D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.