BI-78D3
TL;DR: BI-78D3 (CAS 883065-90-5) is a chemical compound with molecular formula C13H9N5O5S2 and molecular weight 379.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one
Also Known As: JNK Inhibitor X, 4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitrothiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-one, s8201, SID:404720624, BI-78D3, >=98% (HPLC)
| Molecular Formula | C13H9N5O5S2 |
|---|---|
| Molecular Weight | 379.00 g/mol |
| LogP | 1.8477 |
| Topological Polar Surface Area | 125.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.00452 |
| Heavy Atoms | 25 |
| Complexity | 1010.40607 |
Chemical Identifiers
| CAS Number | 883065-90-5 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C(=O)NN=C3SC4=NC=C(S4)[N+](=O)[O-] |
Product Overview
BI-78D3 (CAS 883065-90-5), with molecular formula C13H9N5O5S2 and molecular weight 379.00 g/mol. IUPAC: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one.
Chemical Property Profile of BI-78D3
Property Insights of BI-78D3
The XLogP value of 1.8477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BI-78D3. The TPSA of 125.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BI-78D3. Following Lipinski's Rule of Five, BI-78D3 has 1 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 BI-78D3?
The CAS number of BI-78D3 is 883065-90-5.
What is the molecular formula of BI-78D3?
The molecular formula of BI-78D3 is C13H9N5O5S2.
What is the molecular weight of BI-78D3?
The molecular weight of BI-78D3 is 379.00 g/mol.
Where can I buy BI-78D3?
You can request a quote for BI-78D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BI-78D3?
Yes, KEHONG BIO provides custom synthesis services for BI-78D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.