4H-509S
TL;DR: 4H-509S (CAS 338422-30-3) is a chemical compound with molecular formula C19H18BrClN4O2S2 and molecular weight 511.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzenesulfonamide
Also Known As: 4H-509S, N-({4-allyl-5-[(4-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4-chlorobenzenesulfonamide, N-[(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)methyl]-4-chlorobenzene-1-sulfonamide, N-[[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzenesulfonamide
| Molecular Formula | C19H18BrClN4O2S2 |
|---|---|
| Molecular Weight | 511.97 g/mol |
| LogP | 4.6508 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 511.9743 |
| Heavy Atoms | 29 |
| Complexity | 1084.4019 |
Chemical Identifiers
| CAS Number | 338422-30-3 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
4H-509S (CAS 338422-30-3), with molecular formula C19H18BrClN4O2S2 and molecular weight 511.97 g/mol. IUPAC: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzenesulfonamide.
Chemical Property Profile of 4H-509S
Property Insights of 4H-509S
The XLogP value of 4.6508 indicates that 4H-509S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-509S. Following Lipinski's Rule of Five, 4H-509S has 1 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 4H-509S?
The CAS number of 4H-509S is 338422-30-3.
What is the molecular formula of 4H-509S?
The molecular formula of 4H-509S is C19H18BrClN4O2S2.
What is the molecular weight of 4H-509S?
The molecular weight of 4H-509S is 511.97 g/mol.
Where can I buy 4H-509S?
You can request a quote for 4H-509S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-509S?
Yes, KEHONG BIO provides custom synthesis services for 4H-509S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.