2P-531S
TL;DR: 2P-531S (CAS 477887-72-2) is a chemical compound with molecular formula C21H24F3N3O3S and molecular weight 455.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate
Also Known As: 2P-531S, methyl 3-[(2-{4-[3-(trifluoromethyl)phenethyl]piperazino}acetyl)amino]-2-thiophenecarboxylate, methyl 3-[[2-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate, methyl 3-[2-(4-{2-[3-(trifluoromethyl)phenyl]ethyl}piperazin-1-yl)acetamido]thiophene-2-carboxylate, methyl3-[2-(4-{2-[3-(trifluoromethyl)phenyl]ethyl}piperazin-1-yl)acetamido]thiophene-2-carboxylate
| Molecular Formula | C21H24F3N3O3S |
|---|---|
| Molecular Weight | 455.15 g/mol |
| LogP | 3.3523 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.14905 |
| Heavy Atoms | 31 |
| Complexity | 908.5152 |
Chemical Identifiers
| CAS Number | 477887-72-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)CCC3=CC(=CC=C3)C(F)(F)F |
Product Overview
2P-531S (CAS 477887-72-2), with molecular formula C21H24F3N3O3S and molecular weight 455.15 g/mol. IUPAC: methyl 3-[[2-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of 2P-531S
Property Insights of 2P-531S
The XLogP value of 3.3523 indicates that 2P-531S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2P-531S. Following Lipinski's Rule of Five, 2P-531S 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 2P-531S?
The CAS number of 2P-531S is 477887-72-2.
What is the molecular formula of 2P-531S?
The molecular formula of 2P-531S is C21H24F3N3O3S.
What is the molecular weight of 2P-531S?
The molecular weight of 2P-531S is 455.15 g/mol.
Where can I buy 2P-531S?
You can request a quote for 2P-531S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2P-531S?
Yes, KEHONG BIO provides custom synthesis services for 2P-531S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.