7H-481S
TL;DR: 7H-481S (CAS 344271-91-6) is a chemical compound with molecular formula C20H19Cl2N3O3S2 and molecular weight 483.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-[(2,6-dichlorophenyl)methylsulfinylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
Also Known As: 7H-481S, methyl 4-{[(5-{[(2,6-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate, methyl 4-[[5-[(2,6-dichlorophenyl)methylsulfinylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate, methyl 4-{[(5-{[(2,6-dichlorophenyl)methanesulfinyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate, methyl4-{[(5-{[(2,6-dichlorophenyl)methanesulfinyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate
| Molecular Formula | C20H19Cl2N3O3S2 |
|---|---|
| Molecular Weight | 483.02 g/mol |
| LogP | 4.6497 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.02448 |
| Heavy Atoms | 30 |
| Complexity | 1051.4087 |
Chemical Identifiers
| CAS Number | 344271-91-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)CS(=O)CC3=C(C=CC=C3Cl)Cl |
Product Overview
7H-481S (CAS 344271-91-6), with molecular formula C20H19Cl2N3O3S2 and molecular weight 483.02 g/mol. IUPAC: methyl 4-[[5-[(2,6-dichlorophenyl)methylsulfinylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of 7H-481S
Property Insights of 7H-481S
The XLogP value of 4.6497 indicates that 7H-481S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-481S. Following Lipinski's Rule of Five, 7H-481S has 0 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 7H-481S?
The CAS number of 7H-481S is 344271-91-6.
What is the molecular formula of 7H-481S?
The molecular formula of 7H-481S is C20H19Cl2N3O3S2.
What is the molecular weight of 7H-481S?
The molecular weight of 7H-481S is 483.02 g/mol.
Where can I buy 7H-481S?
You can request a quote for 7H-481S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-481S?
Yes, KEHONG BIO provides custom synthesis services for 7H-481S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.