5P-001
TL;DR: 5P-001 (CAS 478050-16-7) is a chemical compound with molecular formula C23H27N3O2S and molecular weight 409.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-thiophen-2-yl-1H-pyrrole-3-carboxylate
Also Known As: 5P-001, ethyl 2-[4-(2,6-dimethylphenyl)piperazino]-5-(2-thienyl)-1H-pyrrole-3-carboxylate, ethyl 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-thiophen-2-yl-1H-pyrrole-3-carboxylate, ethyl 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-(thiophen-2-yl)-1H-pyrrole-3-carboxylate, ethyl2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-(thiophen-2-yl)-1H-pyrrole-3-carboxylate
| Molecular Formula | C23H27N3O2S |
|---|---|
| Molecular Weight | 409.18 g/mol |
| LogP | 4.86334 |
| Topological Polar Surface Area | 48.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.1824 |
| Heavy Atoms | 29 |
| Complexity | 965.47906 |
Chemical Identifiers
| CAS Number | 478050-16-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1)C2=CC=CS2)N3CCN(CC3)C4=C(C=CC=C4C)C |
Product Overview
5P-001 (CAS 478050-16-7), with molecular formula C23H27N3O2S and molecular weight 409.18 g/mol. IUPAC: ethyl 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-thiophen-2-yl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of 5P-001
Property Insights of 5P-001
The XLogP value of 4.86334 indicates that 5P-001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.57 Ų, 5P-001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5P-001 has 1 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 5P-001?
The CAS number of 5P-001 is 478050-16-7.
What is the molecular formula of 5P-001?
The molecular formula of 5P-001 is C23H27N3O2S.
What is the molecular weight of 5P-001?
The molecular weight of 5P-001 is 409.18 g/mol.
Where can I buy 5P-001?
You can request a quote for 5P-001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5P-001?
Yes, KEHONG BIO provides custom synthesis services for 5P-001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.