7H-474S
TL;DR: 7H-474S (CAS 344271-48-3) is a chemical compound with molecular formula C25H21Cl2N3O2S2 and molecular weight 529.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
Also Known As: 7H-474S, methyl 4-{[(5-{[(2,6-dichlorobenzyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate, methyl 4-[[5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate, methyl 4-({[5-({[(2,6-dichlorophenyl)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate, methyl4-({[5-({[(2,6-dichlorophenyl)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
| Molecular Formula | C25H21Cl2N3O2S2 |
|---|---|
| Molecular Weight | 529.05 g/mol |
| LogP | 7.0864 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 529.0452 |
| Heavy Atoms | 34 |
| Complexity | 1244.9082 |
Chemical Identifiers
| CAS Number | 344271-48-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CSCC4=C(C=CC=C4Cl)Cl |
Product Overview
7H-474S (CAS 344271-48-3), with molecular formula C25H21Cl2N3O2S2 and molecular weight 529.05 g/mol. IUPAC: methyl 4-[[5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of 7H-474S
Property Insights of 7H-474S
The XLogP value of 7.0864 indicates that 7H-474S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 7H-474S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-474S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7H-474S?
The CAS number of 7H-474S is 344271-48-3.
What is the molecular formula of 7H-474S?
The molecular formula of 7H-474S is C25H21Cl2N3O2S2.
What is the molecular weight of 7H-474S?
The molecular weight of 7H-474S is 529.05 g/mol.
Where can I buy 7H-474S?
You can request a quote for 7H-474S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-474S?
Yes, KEHONG BIO provides custom synthesis services for 7H-474S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.