C20H15Br2N3O4
TL;DR: C20H15Br2N3O4 (CAS 1022322-61-7) is a chemical compound with molecular formula C20H15Br2N3O4 and molecular weight 518.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,5-bis(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: ethyl 1,5-bis(4-bromophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 1,5-bis(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate, Ethyl 3,8-bis(4-bromophenyl)-2,4-dioxo-3,7,8-triazabicyclo[3.3.0]oct-6-ene-6-carboxylate, C20H15Br2N3O4
| Molecular Formula | C20H15Br2N3O4 |
|---|---|
| Molecular Weight | 518.94 g/mol |
| LogP | 3.5089 |
| Topological Polar Surface Area | 79.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.94293 |
| Heavy Atoms | 29 |
| Complexity | 1021.02673 |
Chemical Identifiers
| CAS Number | 1022322-61-7 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br |
Product Overview
C20H15Br2N3O4 (CAS 1022322-61-7), with molecular formula C20H15Br2N3O4 and molecular weight 518.94 g/mol. IUPAC: ethyl 1,5-bis(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of C20H15Br2N3O4
Property Insights of C20H15Br2N3O4
The XLogP value of 3.5089 indicates that C20H15Br2N3O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.28 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H15Br2N3O4. Following Lipinski's Rule of Five, C20H15Br2N3O4 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H15Br2N3O4?
The CAS number of C20H15Br2N3O4 is 1022322-61-7.
What is the molecular formula of C20H15Br2N3O4?
The molecular formula of C20H15Br2N3O4 is C20H15Br2N3O4.
What is the molecular weight of C20H15Br2N3O4?
The molecular weight of C20H15Br2N3O4 is 518.94 g/mol.
Where can I buy C20H15Br2N3O4?
You can request a quote for C20H15Br2N3O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H15Br2N3O4?
Yes, KEHONG BIO provides custom synthesis services for C20H15Br2N3O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.