![1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione structure](/static/products/1005/1005122-85-9.webp)
1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
TL;DR: 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione (CAS 1005122-85-9) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-thiophen-2-yl-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione
Also Known As: VU0507593-1, 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, F3023-0164, 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(2H,5H)-dione, 1-benzyl-3-thiophen-2-yl-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 1.4508 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 701.4457 |
Chemical Identifiers
| CAS Number | 1005122-85-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3C(C(N2)C4=CC=CS4)C(=O)NC3=O |
Product Overview
1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione (CAS 1005122-85-9), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: 1-benzyl-3-thiophen-2-yl-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione.
Chemical Property Profile of 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Property Insights of 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
The XLogP value of 1.4508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-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 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
The CAS number of 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione is 1005122-85-9.
What is the molecular formula of 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
The molecular formula of 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione is C16H15N3O2S.
What is the molecular weight of 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
The molecular weight of 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione is 313.09 g/mol.
Where can I buy 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
You can request a quote for 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.