2P-649S
TL;DR: 2P-649S (CAS 477887-91-5) is a chemical compound with molecular formula C24H23N3OS2 and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-4-ethyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 2P-649S, 3-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-5-[(4-methoxybenzyl)sulfanyl]-4H-1,2,4-triazole, 3-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-4-ethyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole, 4-ethyl-3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-{4H,5H-naphtho[1,2-b]thiophen-2-yl}-4H-1,2,4-triazole
| Molecular Formula | C24H23N3OS2 |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | 6.093 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.12827 |
| Heavy Atoms | 30 |
| Complexity | 1177.6416 |
Chemical Identifiers
| CAS Number | 477887-91-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)OC)C3=CC4=C(S3)C5=CC=CC=C5CC4 |
Product Overview
2P-649S (CAS 477887-91-5), with molecular formula C24H23N3OS2 and molecular weight 433.13 g/mol. IUPAC: 3-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-4-ethyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 2P-649S
Property Insights of 2P-649S
The XLogP value of 6.093 indicates that 2P-649S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, 2P-649S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2P-649S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2P-649S?
The CAS number of 2P-649S is 477887-91-5.
What is the molecular formula of 2P-649S?
The molecular formula of 2P-649S is C24H23N3OS2.
What is the molecular weight of 2P-649S?
The molecular weight of 2P-649S is 433.13 g/mol.
Where can I buy 2P-649S?
You can request a quote for 2P-649S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2P-649S?
Yes, KEHONG BIO provides custom synthesis services for 2P-649S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.