p-CHLOROPHENYL-4-THIOSEMICARBAZIDE
TL;DR: p-CHLOROPHENYL-4-THIOSEMICARBAZIDE (CAS 116989-77-6) is a chemical compound with molecular formula C26H20N6O3S and molecular weight 496.13177 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: p-CHLOROPHENYL-4-THIOSEMICARBAZIDE, Acetic acid, ((5-((6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-1-(4-methoxyphenyl)-1H-1,3,4-triazol-2-yl)thio)-, 2-[[5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid, Acetic acid,2-[[5-(6H-indolo[2,3-b]quinoxalin-6-ylmethyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, ({5-[(6H-Indolo[2,3-b]quinoxalin-6-yl)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Technical Specifications
| Molecular Formula | C26H20N6O3S |
| Molecular Weight | 496.13177 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.13177 Da |
| Heavy Atoms | 36 |
| Complexity | 770.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)CN3C4=CC=CC=C4C5=NC6=CC=CC=C6N=C53 |
| InChIKey | HPIVJCLHALCYFH-UHFFFAOYSA-N |
Chemical Property Profile of p-CHLOROPHENYL-4-THIOSEMICARBAZIDE
Property Insights of p-CHLOROPHENYL-4-THIOSEMICARBAZIDE
The XLogP value of 4.0 indicates that p-CHLOROPHENYL-4-THIOSEMICARBAZIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p-CHLOROPHENYL-4-THIOSEMICARBAZIDE. Following Lipinski's Rule of Five, p-CHLOROPHENYL-4-THIOSEMICARBAZIDE has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of p-CHLOROPHENYL-4-THIOSEMICARBAZIDE?
The CAS number of p-CHLOROPHENYL-4-THIOSEMICARBAZIDE is 116989-77-6.
What is the molecular formula of p-CHLOROPHENYL-4-THIOSEMICARBAZIDE?
The molecular formula of p-CHLOROPHENYL-4-THIOSEMICARBAZIDE is C26H20N6O3S.
What is the molecular weight of p-CHLOROPHENYL-4-THIOSEMICARBAZIDE?
The molecular weight of p-CHLOROPHENYL-4-THIOSEMICARBAZIDE is 496.13177 g/mol.
Where can I buy p-CHLOROPHENYL-4-THIOSEMICARBAZIDE?
You can request a quote for p-CHLOROPHENYL-4-THIOSEMICARBAZIDE directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-CHLOROPHENYL-4-THIOSEMICARBAZIDE?
Yes, CoreyChem provides custom synthesis services for p-CHLOROPHENYL-4-THIOSEMICARBAZIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.