2P-641S
TL;DR: 2P-641S (CAS 477887-85-7) is a chemical compound with molecular formula C23H20ClN3S2 and molecular weight 437.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfanyl]-5-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-4-ethyl-1,2,4-triazole
Also Known As: 2P-641S, 4-chlorobenzyl 5-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl sulfide, 3-[(4-chlorophenyl)methylsulfanyl]-5-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-4-ethyl-1,2,4-triazole, 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-ethyl-5-{4H,5H-naphtho[1,2-b]thiophen-2-yl}-4H-1,2,4-triazole
| Molecular Formula | C23H20ClN3S2 |
|---|---|
| Molecular Weight | 437.08 g/mol |
| LogP | 6.7378 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.0787 |
| Heavy Atoms | 29 |
| Complexity | 1161.3422 |
Chemical Identifiers
| CAS Number | 477887-85-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC4=C(S3)C5=CC=CC=C5CC4 |
Product Overview
2P-641S (CAS 477887-85-7), with molecular formula C23H20ClN3S2 and molecular weight 437.08 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-5-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-4-ethyl-1,2,4-triazole.
Chemical Property Profile of 2P-641S
Property Insights of 2P-641S
The XLogP value of 6.7378 indicates that 2P-641S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 2P-641S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2P-641S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2P-641S?
The CAS number of 2P-641S is 477887-85-7.
What is the molecular formula of 2P-641S?
The molecular formula of 2P-641S is C23H20ClN3S2.
What is the molecular weight of 2P-641S?
The molecular weight of 2P-641S is 437.08 g/mol.
Where can I buy 2P-641S?
You can request a quote for 2P-641S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2P-641S?
Yes, KEHONG BIO provides custom synthesis services for 2P-641S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.