PubChem SID: 3717177
TL;DR: PubChem SID: 3717177 (CAS 882142-80-5) is a chemical compound with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
Also Known As: PubChem SID: 3717177, 1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone, 1-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]-2-(2-methyl-4-thiazolyl)ethanone, 1-[4-(2-hydroxy-5-methyl-benzoyl)pyrazol-1-yl]-2-(2-methylthiazol-4-yl)ethanone, 1-[4-(2-hydroxy-5-methylbenzoyl)-1H-pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethan-1-one
| Molecular Formula | C17H15N3O3S |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 2.77594 |
| Topological Polar Surface Area | 85.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0834 |
| Heavy Atoms | 24 |
| Complexity | 926.81616 |
Chemical Identifiers
| CAS Number | 882142-80-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)CC3=CSC(=N3)C |
Product Overview
PubChem SID: 3717177 (CAS 882142-80-5), with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol. IUPAC: 1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
Chemical Property Profile of PubChem SID: 3717177
Property Insights of PubChem SID: 3717177
The XLogP value of 2.77594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PubChem SID: 3717177. The TPSA of 85.08 Ų falls within the moderate polarity range, balancing permeability and solubility for PubChem SID: 3717177. Following Lipinski's Rule of Five, PubChem SID: 3717177 has 1 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 PubChem SID: 3717177?
The CAS number of PubChem SID: 3717177 is 882142-80-5.
What is the molecular formula of PubChem SID: 3717177?
The molecular formula of PubChem SID: 3717177 is C17H15N3O3S.
What is the molecular weight of PubChem SID: 3717177?
The molecular weight of PubChem SID: 3717177 is 341.08 g/mol.
Where can I buy PubChem SID: 3717177?
You can request a quote for PubChem SID: 3717177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PubChem SID: 3717177?
Yes, KEHONG BIO provides custom synthesis services for PubChem SID: 3717177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.