![3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid structure](/static/products/488/488795-61-5.png)
3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid
TL;DR: 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid (CAS 488795-61-5) is a chemical compound with molecular formula C19H14ClN3O4S and molecular weight 415.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-[(E)-(benzoylhydrazinylidene)methyl]-4-chloro-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
Also Known As: (E)-3-((5-((2-benzoylhydrazono)methyl)-4-chloro-2-oxothiazol-3(2H)-yl)methyl)benzoic acid, 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid, 3-({5-[(1E)-2-(phenylcarbonylamino)-2-azavinyl]-4-chloro-2-oxo-1,3-thiazolin-3 -yl}methyl)benzoic acid, 3-[[5-[(E)-(benzoylhydrazinylidene)methyl]-4-chloro-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid, 3-{[4-chloro-2-oxo-5-{(E)-[2-(phenylcarbonyl)hydrazinylidene]methyl}-1,3-thiazol-3(2H)-yl]methyl}benzoic acid
| Molecular Formula | C19H14ClN3O4S |
|---|---|
| Molecular Weight | 415.04 g/mol |
| LogP | 3.0736 |
| Topological Polar Surface Area | 100.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.03937 |
| Heavy Atoms | 28 |
| Complexity | 1105.8666 |
Chemical Identifiers
| CAS Number | 488795-61-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N/N=C/C2=C(N(C(=O)S2)CC3=CC(=CC=C3)C(=O)O)Cl |
Product Overview
3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid (CAS 488795-61-5), with molecular formula C19H14ClN3O4S and molecular weight 415.04 g/mol. IUPAC: 3-[[5-[(E)-(benzoylhydrazinylidene)methyl]-4-chloro-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid.
Chemical Property Profile of 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid
Property Insights of 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid
The XLogP value of 3.0736 indicates that 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid. Following Lipinski's Rule of Five, 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid has 2 hydrogen bond donor(s) and 5 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 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid?
The CAS number of 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid is 488795-61-5.
What is the molecular formula of 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid?
The molecular formula of 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid is C19H14ClN3O4S.
What is the molecular weight of 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid?
The molecular weight of 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid is 415.04 g/mol.
Where can I buy 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid?
You can request a quote for 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(Benzoyl-hydrazonomethyl)-4-chloro-2-oxo-thiazol-3-ylmethyl]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.