IFLab1_005212
TL;DR: IFLab1_005212 (CAS 459422-12-9) is a chemical compound with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(oxolan-2-ylmethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
Also Known As: IFLab1_005212, 3-methyl-1-phenyl-N-((tetrahydrofuran-2-yl)methyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide, 3-methyl-N-(oxolan-2-ylmethyl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamide, (3-methyl-1-phenylthiopheno[4,5-d]pyrazol-5-yl)-N-(oxolan-2-ylmethyl)carboxami de, 3-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
| Molecular Formula | C18H19N3O2S |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 3.30422 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.1198 |
| Heavy Atoms | 24 |
| Complexity | 863.15643 |
Chemical Identifiers
| CAS Number | 459422-12-9 |
|---|---|
| SMILES | CC1=NN(C2=C1C=C(S2)C(=O)NCC3CCCO3)C4=CC=CC=C4 |
Product Overview
IFLab1_005212 (CAS 459422-12-9), with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol. IUPAC: 3-methyl-N-(oxolan-2-ylmethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
Chemical Property Profile of IFLab1_005212
Property Insights of IFLab1_005212
The XLogP value of 3.30422 indicates that IFLab1_005212 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, IFLab1_005212 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_005212 has 1 hydrogen bond donor(s) and 4 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 IFLab1_005212?
The CAS number of IFLab1_005212 is 459422-12-9.
What is the molecular formula of IFLab1_005212?
The molecular formula of IFLab1_005212 is C18H19N3O2S.
What is the molecular weight of IFLab1_005212?
The molecular weight of IFLab1_005212 is 341.12 g/mol.
Where can I buy IFLab1_005212?
You can request a quote for IFLab1_005212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005212?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.