5K-309S
TL;DR: 5K-309S (CAS 956779-10-5) is a chemical compound with molecular formula C25H18BrN3O2S and molecular weight 503.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-bromophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methyl 4-cyanobenzoate
Also Known As: 5K-309S, {5-[(4-bromophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methyl 4-cyanobenzenecarboxylate, [5-(4-bromophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methyl 4-cyanobenzoate, {5-[(4-bromophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methyl 4-cyanobenzoate, [5-(4-bromophenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]methyl 4-cyanobenzoate
| Molecular Formula | C25H18BrN3O2S |
|---|---|
| Molecular Weight | 503.03 g/mol |
| LogP | 6.22948 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.0303 |
| Heavy Atoms | 32 |
| Complexity | 1278.0192 |
Chemical Identifiers
| CAS Number | 956779-10-5 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)C#N)SC4=CC=C(C=C4)Br |
Product Overview
5K-309S (CAS 956779-10-5), with molecular formula C25H18BrN3O2S and molecular weight 503.03 g/mol. IUPAC: [5-(4-bromophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methyl 4-cyanobenzoate.
Chemical Property Profile of 5K-309S
Property Insights of 5K-309S
The XLogP value of 6.22948 indicates that 5K-309S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 5K-309S. Following Lipinski's Rule of Five, 5K-309S has 0 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 5K-309S?
The CAS number of 5K-309S is 956779-10-5.
What is the molecular formula of 5K-309S?
The molecular formula of 5K-309S is C25H18BrN3O2S.
What is the molecular weight of 5K-309S?
The molecular weight of 5K-309S is 503.03 g/mol.
Where can I buy 5K-309S?
You can request a quote for 5K-309S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-309S?
Yes, KEHONG BIO provides custom synthesis services for 5K-309S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.