5C-072
TL;DR: 5C-072 (CAS 338751-03-4) is a chemical compound with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxy-2-phenyl-4-(thiophen-2-ylmethyliminomethyl)-1H-pyrazol-3-one
Also Known As: 5C-072, 5-ethoxy-2-phenyl-4-{[(2-thienylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one, (4Z)-3-ethoxy-1-phenyl-4-({[(thiophen-2-yl)methyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one, 5-ethoxy-2-phenyl-4-(thiophen-2-ylmethyliminomethyl)-1H-pyrazol-3-one, 5-ethoxy-2-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one
| Molecular Formula | C17H17N3O2S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 3.2449 |
| Topological Polar Surface Area | 59.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.10416 |
| Heavy Atoms | 23 |
| Complexity | 832.6081 |
Chemical Identifiers
| CAS Number | 338751-03-4 |
|---|---|
| SMILES | CCOC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NCC3=CC=CS3 |
Product Overview
5C-072 (CAS 338751-03-4), with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol. IUPAC: 5-ethoxy-2-phenyl-4-(thiophen-2-ylmethyliminomethyl)-1H-pyrazol-3-one.
Chemical Property Profile of 5C-072
Property Insights of 5C-072
The XLogP value of 3.2449 indicates that 5C-072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.38 Ų, 5C-072 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5C-072 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 5C-072?
The CAS number of 5C-072 is 338751-03-4.
What is the molecular formula of 5C-072?
The molecular formula of 5C-072 is C17H17N3O2S.
What is the molecular weight of 5C-072?
The molecular weight of 5C-072 is 327.10 g/mol.
Where can I buy 5C-072?
You can request a quote for 5C-072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5C-072?
Yes, KEHONG BIO provides custom synthesis services for 5C-072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.