3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate
TL;DR: 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate (CAS 764653-00-1) is a chemical compound with molecular formula C25H18ClN3O4S and molecular weight 491.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: 3-(2-(OXO(4-TOLUIDINO)AC)CARBOHYDRAZONOYL)PH 3-CL-1-BENZOTHIOPHENE-2-CARBOXYLATE, 656-696-7, RefChem:490558
| Molecular Formula | C25H18ClN3O4S |
|---|---|
| Molecular Weight | 491.07 g/mol |
| LogP | 5.17112 |
| Topological Polar Surface Area | 96.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.07065 |
| Heavy Atoms | 34 |
| Complexity | 1413.4655 |
Chemical Identifiers
| CAS Number | 764653-00-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate (CAS 764653-00-1), with molecular formula C25H18ClN3O4S and molecular weight 491.07 g/mol. IUPAC: [3-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate
Property Insights of 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate
The XLogP value of 5.17112 indicates that 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate has 2 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 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate?
The CAS number of 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate is 764653-00-1.
What is the molecular formula of 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate?
The molecular formula of 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate is C25H18ClN3O4S.
What is the molecular weight of 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate?
The molecular weight of 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate is 491.07 g/mol.
Where can I buy 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate?
You can request a quote for 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(Oxo(4-toluidino)AC)carbohydrazonoyl)PH 3-CL-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.