4P-331S
TL;DR: 4P-331S (CAS 478043-99-1) is a chemical compound with molecular formula C22H15ClF3N3S and molecular weight 445.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4-chlorophenyl)methylsulfanyl]-1H-indol-3-yl]-[3-(trifluoromethyl)phenyl]diazene
Also Known As: 4P-331S, 2-[(4-chlorobenzyl)sulfanyl]-3H-indol-3-one N-[3-(trifluoromethyl)phenyl]hydrazone, (3Z)-2-{[(4-chlorophenyl)methyl]sulfanyl}-3-{2-[3-(trifluoromethyl)phenyl]hydrazin-1-ylidene}-3H-indole, [2-[(4-chlorophenyl)methylsulfanyl]-1H-indol-3-yl]-[3-(trifluoromethyl)phenyl]diazene, N-[[2-[(4-chlorophenyl)methylsulfanyl]indol-3-ylidene]amino]-3-(trifluoromethyl)aniline
| Molecular Formula | C22H15ClF3N3S |
|---|---|
| Molecular Weight | 445.06 g/mol |
| LogP | 8.5478 |
| Topological Polar Surface Area | 40.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.06274 |
| Heavy Atoms | 30 |
| Complexity | 1200.4551 |
Chemical Identifiers
| CAS Number | 478043-99-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2)SCC3=CC=C(C=C3)Cl)N=NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
4P-331S (CAS 478043-99-1), with molecular formula C22H15ClF3N3S and molecular weight 445.06 g/mol. IUPAC: [2-[(4-chlorophenyl)methylsulfanyl]-1H-indol-3-yl]-[3-(trifluoromethyl)phenyl]diazene.
Chemical Property Profile of 4P-331S
Property Insights of 4P-331S
The XLogP value of 8.5478 indicates that 4P-331S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.51 Ų, 4P-331S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4P-331S has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4P-331S?
The CAS number of 4P-331S is 478043-99-1.
What is the molecular formula of 4P-331S?
The molecular formula of 4P-331S is C22H15ClF3N3S.
What is the molecular weight of 4P-331S?
The molecular weight of 4P-331S is 445.06 g/mol.
Where can I buy 4P-331S?
You can request a quote for 4P-331S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4P-331S?
Yes, KEHONG BIO provides custom synthesis services for 4P-331S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.