![3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid structure](/static/products/6918/691887-94-2.webp)
3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid
TL;DR: 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid (CAS 691887-94-2) is a chemical compound with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]prop-2-enoic acid
Also Known As: Bionet2_001244, 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid, (Z)-3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-2-propenoic acid, 3-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]prop-2-enoic acid
| Molecular Formula | C10H8N2O2S |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 2.0316 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.03065 |
| Heavy Atoms | 15 |
| Complexity | 485.25528 |
Chemical Identifiers
| CAS Number | 691887-94-2 |
|---|---|
| SMILES | C1=CN(C(=C1)C=CC(=O)O)C2=NC=CS2 |
Product Overview
3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid (CAS 691887-94-2), with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol. IUPAC: 3-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]prop-2-enoic acid.
Chemical Property Profile of 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid
Property Insights of 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid
The XLogP value of 2.0316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-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 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid?
The CAS number of 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid is 691887-94-2.
What is the molecular formula of 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid?
The molecular formula of 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid is C10H8N2O2S.
What is the molecular weight of 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid?
The molecular weight of 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid is 220.03 g/mol.
Where can I buy 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid?
You can request a quote for 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-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 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.