C19H13Br2N3O4
TL;DR: C19H13Br2N3O4 (CAS 1023576-16-0) is a chemical compound with molecular formula C19H13Br2N3O4 and molecular weight 504.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,5-bis(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: methyl 1,5-bis(4-bromophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 1,5-bis(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate, Methyl 3,8-bis(4-bromophenyl)-2,4-dioxo-3,7,8-triazabicyclo[3.3.0]oct-6-ene-6-carboxylate, pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 1,5-bis(4-bromophenyl)-1,3a,4,5,6,6a-hexahydro-4,6-dioxo-, methyl ester, C19H13Br2N3O4
| Molecular Formula | C19H13Br2N3O4 |
|---|---|
| Molecular Weight | 504.93 g/mol |
| LogP | 3.1188 |
| Topological Polar Surface Area | 79.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.92728 |
| Heavy Atoms | 28 |
| Complexity | 1004.84375 |
Chemical Identifiers
| CAS Number | 1023576-16-0 |
|---|---|
| SMILES | COC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br |
Product Overview
C19H13Br2N3O4 (CAS 1023576-16-0), with molecular formula C19H13Br2N3O4 and molecular weight 504.93 g/mol. IUPAC: methyl 1,5-bis(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of C19H13Br2N3O4
Property Insights of C19H13Br2N3O4
The XLogP value of 3.1188 indicates that C19H13Br2N3O4 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 C19H13Br2N3O4. Following Lipinski's Rule of Five, C19H13Br2N3O4 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 C19H13Br2N3O4?
The CAS number of C19H13Br2N3O4 is 1023576-16-0.
What is the molecular formula of C19H13Br2N3O4?
The molecular formula of C19H13Br2N3O4 is C19H13Br2N3O4.
What is the molecular weight of C19H13Br2N3O4?
The molecular weight of C19H13Br2N3O4 is 504.93 g/mol.
Where can I buy C19H13Br2N3O4?
You can request a quote for C19H13Br2N3O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H13Br2N3O4?
Yes, KEHONG BIO provides custom synthesis services for C19H13Br2N3O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.