(2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid
TL;DR: (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid (CAS 4123-18-6) is a chemical compound with molecular formula C10H7NO2S and molecular weight 205.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid
Also Known As: 3-Benzothiazol-2-yl-acrylic acid, (E)-3-(benzo[d]thiazol-2-yl)acrylic acid, 3-(benzo[d]thiazol-2-yl)acrylic acid, 3t-benzothiazol-2-yl-acrylic acid, (2E)-3-(1,3-BENZOTHIAZOL-2-YL)ACRYLIC ACID
| Molecular Formula | C10H7NO2S |
|---|---|
| Molecular Weight | 205.02 g/mol |
| LogP | 2.3941 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.01974 |
| Heavy Atoms | 14 |
| Complexity | 468.54623 |
Chemical Identifiers
| CAS Number | 4123-18-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C=C/C(=O)O |
Product Overview
(2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid (CAS 4123-18-6), with molecular formula C10H7NO2S and molecular weight 205.02 g/mol. IUPAC: (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid
Property Insights of (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid
The XLogP value of 2.3941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 50.19 Ų, (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid has 1 hydrogen bond donor(s) and 3 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 (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid?
The CAS number of (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid is 4123-18-6.
What is the molecular formula of (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid?
The molecular formula of (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid is C10H7NO2S.
What is the molecular weight of (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid?
The molecular weight of (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid is 205.02 g/mol.
Where can I buy (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid?
You can request a quote for (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.