CTK5H5444
TL;DR: CTK5H5444 (CAS 94159-11-2) is a chemical compound with molecular formula C18H14N4O5S and molecular weight 398.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4,6-dioxo-5-(phenylhydrazinylidene)cyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonic acid
Also Known As: 4-[[2,4-DIHYDROXY-3-(PHENYLAZO)PHENYL]AZO]BENZENESULFONIC ACID
| Molecular Formula | C18H14N4O5S |
|---|---|
| Molecular Weight | 398.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.06848 |
| Heavy Atoms | 28 |
| Complexity | 798.0 |
Chemical Identifiers
| CAS Number | 94159-11-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NN=C2C(=O)C=CC(=NNC3=CC=C(C=C3)S(=O)(=O)O)C2=O |
| InChIKey | ZXHGYODRRIYZMN-UHFFFAOYSA-N |
Product Overview
CTK5H5444 (CAS 94159-11-2), with molecular formula C18H14N4O5S and molecular weight 398.07 g/mol. IUPAC: 4-[2-[4,6-dioxo-5-(phenylhydrazinylidene)cyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonic acid.
Chemical Property Profile of CTK5H5444
Property Insights of CTK5H5444
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5H5444. The TPSA of 146.0 Ų indicates high polarity, suggesting CTK5H5444 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK5H5444 has 3 hydrogen bond donor(s) and 9 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 CTK5H5444?
The CAS number of CTK5H5444 is 94159-11-2.
What is the molecular formula of CTK5H5444?
The molecular formula of CTK5H5444 is C18H14N4O5S.
What is the molecular weight of CTK5H5444?
The molecular weight of CTK5H5444 is 398.07 g/mol.
Where can I buy CTK5H5444?
You can request a quote for CTK5H5444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5H5444?
Yes, KEHONG BIO provides custom synthesis services for CTK5H5444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.