A3617/0153343
TL;DR: A3617/0153343 (CAS 956796-50-2) is a chemical compound with molecular formula C15H12IN3O5 and molecular weight 440.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-acetyl-5-(4-iodophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: A3617/0153343, methyl 1-acetyl-5-(4-iodophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 1-acetyl-5-(4-iodophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C15H12IN3O5 |
|---|---|
| Molecular Weight | 440.98 g/mol |
| LogP | 0.5403 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 440.98218 |
| Heavy Atoms | 24 |
| Complexity | 788.8042 |
Chemical Identifiers
| CAS Number | 956796-50-2 |
|---|---|
| SMILES | CC(=O)N1C2C(C(=N1)C(=O)OC)C(=O)N(C2=O)C3=CC=C(C=C3)I |
Product Overview
A3617/0153343 (CAS 956796-50-2), with molecular formula C15H12IN3O5 and molecular weight 440.98 g/mol. IUPAC: methyl 1-acetyl-5-(4-iodophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of A3617/0153343
Property Insights of A3617/0153343
The XLogP value of 0.5403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3617/0153343. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for A3617/0153343. Following Lipinski's Rule of Five, A3617/0153343 has 0 hydrogen bond donor(s) and 6 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 A3617/0153343?
The CAS number of A3617/0153343 is 956796-50-2.
What is the molecular formula of A3617/0153343?
The molecular formula of A3617/0153343 is C15H12IN3O5.
What is the molecular weight of A3617/0153343?
The molecular weight of A3617/0153343 is 440.98 g/mol.
Where can I buy A3617/0153343?
You can request a quote for A3617/0153343 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3617/0153343?
Yes, KEHONG BIO provides custom synthesis services for A3617/0153343 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.