![(3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid structure](/static/products/401/401640-53-7.png)
(3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid
TL;DR: (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid (CAS 401640-53-7) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenoxy]acetic acid
Also Known As: 2-[3-[(benzothiazol-2-ylhydrazinylidene)methyl]phenoxy]acetic Acid, (E)-2-(3-((2-(benzo[d]thiazol-2-yl)hydrazono)methyl)phenoxy)acetic acid, 2-{3-[(1E)-2-(benzothiazol-2-ylamino)-2-azavinyl]phenoxy}acetic acid, (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 3.2057 |
| Topological Polar Surface Area | 83.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 827.4076 |
Chemical Identifiers
| CAS Number | 401640-53-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N/N=C/C3=CC(=CC=C3)OCC(=O)O |
Product Overview
(3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid (CAS 401640-53-7), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: 2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid
Property Insights of (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid
The XLogP value of 3.2057 indicates that (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid. Following Lipinski's Rule of Five, (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid has 2 hydrogen bond donor(s) and 6 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-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid?
The CAS number of (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid is 401640-53-7.
What is the molecular formula of (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid?
The molecular formula of (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid is C16H13N3O3S.
What is the molecular weight of (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid?
The molecular weight of (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid is 327.07 g/mol.
Where can I buy (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid?
You can request a quote for (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.