![[3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione structure](/static/products/1295/129-54-4.webp)
[3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione
TL;DR: [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione (CAS 129-54-4) is a chemical compound with molecular formula C28H14N4O2 and molecular weight 438.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(8-hydroxy-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,10,13(16)-heptaen-12-ylidene)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,13-heptaen-8-one
Also Known As: [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione|ZNDLBTGDGBGUCL-UHFFFAOYSA-N
| Molecular Formula | C28H14N4O2 |
|---|---|
| Molecular Weight | 438.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 438.11166 |
| Heavy Atoms | 34 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 129-54-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC(=C4C=CC5=C6C4=NN=C6C7=CC=CC=C7C5=O)C8=C3C2=NN8)O |
| InChIKey | POSYIQPMOTXECY-UHFFFAOYSA-N |
Product Overview
[3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione (CAS 129-54-4), with molecular formula C28H14N4O2 and molecular weight 438.11 g/mol. IUPAC: 12-(8-hydroxy-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,10,13(16)-heptaen-12-ylidene)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,13-heptaen-8-one.
Chemical Property Profile of [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione
Property Insights of [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione
The XLogP value of 4.8 indicates that [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione. Following Lipinski's Rule of Five, [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione has 2 hydrogen bond donor(s) and 5 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 [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione?
The CAS number of [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione is 129-54-4.
What is the molecular formula of [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione?
The molecular formula of [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione is C28H14N4O2.
What is the molecular weight of [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione?
The molecular weight of [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione is 438.11 g/mol.
Where can I buy [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione?
You can request a quote for [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione?
Yes, KEHONG BIO provides custom synthesis services for [3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.