6H-438S
TL;DR: 6H-438S (CAS 338794-47-1) is a chemical compound with molecular formula C22H23BrN4O4S2 and molecular weight 550.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[5-[[(4-bromophenyl)sulfonylamino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
Also Known As: 6H-438S, ethyl 4-[[5-[[(4-bromophenyl)sulfonylamino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate, ethyl 4-({[4-allyl-5-({[(4-bromophenyl)sulfonyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate, ethyl 4-[({5-[(4-bromobenzenesulfonamido)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
| Molecular Formula | C22H23BrN4O4S2 |
|---|---|
| Molecular Weight | 550.03 g/mol |
| LogP | 4.1741 |
| Topological Polar Surface Area | 103.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 550.0344 |
| Heavy Atoms | 33 |
| Complexity | 1210.1978 |
Chemical Identifiers
| CAS Number | 338794-47-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)CNS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
6H-438S (CAS 338794-47-1), with molecular formula C22H23BrN4O4S2 and molecular weight 550.03 g/mol. IUPAC: ethyl 4-[[5-[[(4-bromophenyl)sulfonylamino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of 6H-438S
Property Insights of 6H-438S
The XLogP value of 4.1741 indicates that 6H-438S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-438S. Following Lipinski's Rule of Five, 6H-438S has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6H-438S?
The CAS number of 6H-438S is 338794-47-1.
What is the molecular formula of 6H-438S?
The molecular formula of 6H-438S is C22H23BrN4O4S2.
What is the molecular weight of 6H-438S?
The molecular weight of 6H-438S is 550.03 g/mol.
Where can I buy 6H-438S?
You can request a quote for 6H-438S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-438S?
Yes, KEHONG BIO provides custom synthesis services for 6H-438S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.