![1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid structure](/static/products/3069/306936-23-2.webp)
1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
TL;DR: 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid (CAS 306936-23-2) is a chemical compound with molecular formula C16H19NO3S and molecular weight 305.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid
Also Known As: Maybridge1_008415, 1-[2-[(2-HYDROXYETHYL)THIO]ETHYL]-2-METHYL-5-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID, 1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid, 1,3,6,8-PYRENETETRASULFONICACIDTETRASODIUMSALT, 1H-Pyrrole-3-carboxylic acid, 1-[2-[(2-hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-
| Molecular Formula | C16H19NO3S |
|---|---|
| Molecular Weight | 305.11 g/mol |
| LogP | 2.88722 |
| Topological Polar Surface Area | 62.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 305.10855 |
| Heavy Atoms | 21 |
| Complexity | 607.4847 |
Chemical Identifiers
| CAS Number | 306936-23-2 |
|---|---|
| SMILES | CC1=C(C=C(N1CCSCCO)C2=CC=CC=C2)C(=O)O |
Product Overview
1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid (CAS 306936-23-2), with molecular formula C16H19NO3S and molecular weight 305.11 g/mol. IUPAC: 1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid.
Chemical Property Profile of 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
Property Insights of 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
The XLogP value of 2.88722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid. The TPSA of 62.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-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 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
The CAS number of 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid is 306936-23-2.
What is the molecular formula of 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
The molecular formula of 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid is C16H19NO3S.
What is the molecular weight of 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
The molecular weight of 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid is 305.11 g/mol.
Where can I buy 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
You can request a quote for 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-[(2-Hydroxyethyl)thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.