3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid
TL;DR: 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid (CAS 256348-31-9) is a chemical compound with molecular formula C12H15NO2S and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic acid
Also Known As: 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid, 3-[(1,1-diethylprop-2-ynyl)amino]thiophene-2-carboxylic acid, 3-((3-Ethylpent-1-yn-3-yl)amino)thiophene-2-carboxylic acid, 3-[(3-Ethylpent-1-yn-3-yl)amino]thiophene-2-carboxylic acid, 3-[(1,1-Diethyl-2-propyn-1-yl)amino]-2-thiophenecarboxylic acid
| Molecular Formula | C12H15NO2S |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 3.0502 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.08235 |
| Heavy Atoms | 16 |
| Complexity | 412.8984 |
Chemical Identifiers
| CAS Number | 256348-31-9 |
|---|---|
| SMILES | CCC(CC)(C#C)NC1=C(SC=C1)C(=O)O |
Product Overview
3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid (CAS 256348-31-9), with molecular formula C12H15NO2S and molecular weight 237.08 g/mol. IUPAC: 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic acid.
Chemical Property Profile of 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid
Property Insights of 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid
The XLogP value of 3.0502 indicates that 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid has 2 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-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid?
The CAS number of 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid is 256348-31-9.
What is the molecular formula of 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid?
The molecular formula of 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid is C12H15NO2S.
What is the molecular weight of 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid?
The molecular weight of 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid is 237.08 g/mol.
Where can I buy 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid?
You can request a quote for 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.