(1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester
TL;DR: (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester (CAS 959083-94-4) is a chemical compound with molecular formula C8H9NO5S and molecular weight 231.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-formyl-1-methylsulfonylpyrrole-3-carboxylate
Also Known As: Methyl 5-formyl-1-(methylsulfonyl)-1H-pyrrole-3-carboxylate, methyl 5-formyl-1-methylsulfonylpyrrole-3-carboxylate, (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester, Methyl 5-formyl-1-(methylsulfonyl)-1H-pyrrole-3-carboxylate #
| Molecular Formula | C8H9NO5S |
|---|---|
| Molecular Weight | 231.02 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.02014 |
| Heavy Atoms | 15 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 959083-94-4 |
|---|---|
| SMILES | COC(=O)C1=CN(C(=C1)C=O)S(=O)(=O)C |
| InChIKey | YWHFOZFVOSLTMZ-UHFFFAOYSA-N |
Product Overview
(1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester (CAS 959083-94-4), with molecular formula C8H9NO5S and molecular weight 231.02 g/mol. IUPAC: methyl 5-formyl-1-methylsulfonylpyrrole-3-carboxylate.
Chemical Property Profile of (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester
Property Insights of (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester. Following Lipinski's Rule of Five, (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester has 0 hydrogen bond donor(s) and 5 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 (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester?
The CAS number of (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester is 959083-94-4.
What is the molecular formula of (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester?
The molecular formula of (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester is C8H9NO5S.
What is the molecular weight of (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester?
The molecular weight of (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester is 231.02 g/mol.
Where can I buy (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester?
You can request a quote for (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1H)Pyrrole-3-carboxylic acid, 5-formyl-1-(methylsulfonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.