RefChem:513535
TL;DR: RefChem:513535 (CAS 307953-12-4) is a chemical compound with molecular formula C25H26N4O3S3 and molecular weight 526.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[4-[(E)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-phenylpyrazol-3-yl]benzenesulfonamide
Also Known As: 4-{4-[(E)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-dimethylbenzenesulfonamide, 4-(4-((E)-(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-1-phenyl-1H-pyrazol-3-YL)-N,N-dimethylbenzenesulfonamide, 652-789-1, N,N-dimethyl-4-[4-[(E)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-phenylpyrazol-3-yl]benzenesulfonamide, RefChem:513535
| Molecular Formula | C25H26N4O3S3 |
|---|---|
| Molecular Weight | 526.12 g/mol |
| LogP | 4.6468 |
| Topological Polar Surface Area | 75.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 526.1167 |
| Heavy Atoms | 35 |
| Complexity | 1393.4685 |
Chemical Identifiers
| CAS Number | 307953-12-4 |
|---|---|
| SMILES | CC(C)CN1C(=O)/C(=C\C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N(C)C)C4=CC=CC=C4)/SC1=S |
Product Overview
RefChem:513535 (CAS 307953-12-4), with molecular formula C25H26N4O3S3 and molecular weight 526.12 g/mol. IUPAC: N,N-dimethyl-4-[4-[(E)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-phenylpyrazol-3-yl]benzenesulfonamide.
Chemical Property Profile of RefChem:513535
Property Insights of RefChem:513535
The XLogP value of 4.6468 indicates that RefChem:513535 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.51 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513535. Following Lipinski's Rule of Five, RefChem:513535 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 RefChem:513535?
The CAS number of RefChem:513535 is 307953-12-4.
What is the molecular formula of RefChem:513535?
The molecular formula of RefChem:513535 is C25H26N4O3S3.
What is the molecular weight of RefChem:513535?
The molecular weight of RefChem:513535 is 526.12 g/mol.
Where can I buy RefChem:513535?
You can request a quote for RefChem:513535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513535?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.