Withasomnine
TL;DR: Withasomnine (CAS 10183-74-1) is a chemical compound with molecular formula C12H12N2 and molecular weight 184.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
Also Known As: Withasomnine, 3-Phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole, 4H-Pyrrolo[1,2-b]pyrazole, 5,6-dihydro-3-phenyl-, 3-phenyl-4H,5H,6H-pyrrolo[1,2-b]pyrazole, 3-phenyl-5,6-dihydro-4H-pyrrolo(1,2-b)pyrazole
| Molecular Formula | C12H12N2 |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.10005 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 10183-74-1 |
|---|---|
| SMILES | C1CC2=C(C=NN2C1)C3=CC=CC=C3 |
| InChIKey | FOJCJLSJZFQCID-UHFFFAOYSA-N |
Product Overview
Withasomnine (CAS 10183-74-1), with molecular formula C12H12N2 and molecular weight 184.10 g/mol. IUPAC: 3-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
Chemical Property Profile of Withasomnine
Property Insights of Withasomnine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Withasomnine. With a topological polar surface area (TPSA) of 17.8 Ų, Withasomnine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Withasomnine has 0 hydrogen bond donor(s) and 1 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 Withasomnine?
The CAS number of Withasomnine is 10183-74-1.
What is the molecular formula of Withasomnine?
The molecular formula of Withasomnine is C12H12N2.
What is the molecular weight of Withasomnine?
The molecular weight of Withasomnine is 184.10 g/mol.
Where can I buy Withasomnine?
You can request a quote for Withasomnine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Withasomnine?
Yes, KEHONG BIO provides custom synthesis services for Withasomnine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.