Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
TL;DR: Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate (CAS 306936-53-8) is a chemical compound with molecular formula C7H8ClNO4S and molecular weight 236.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chlorosulfonyl-1-methylpyrrole-2-carboxylate
Also Known As: METHYL 5-(CHLOROSULFONYL)-1-METHYL-1H-PYRROLE-2-CARBOXYLATE, N-Fmoc-beta-phenyl-D-phenylalaninol, 3241AB, methyl 5-chlorosulfonyl-1-methylpyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, 5-(chlorosulfonyl)-1-methyl-, methyl ester
| Molecular Formula | C7H8ClNO4S |
|---|---|
| Molecular Weight | 236.99 g/mol |
| LogP | 0.7392 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.98625 |
| Heavy Atoms | 14 |
| Complexity | 462.0344 |
Chemical Identifiers
| CAS Number | 306936-53-8 |
|---|---|
| SMILES | CN1C(=CC=C1S(=O)(=O)Cl)C(=O)OC |
Product Overview
Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate (CAS 306936-53-8), with molecular formula C7H8ClNO4S and molecular weight 236.99 g/mol. IUPAC: methyl 5-chlorosulfonyl-1-methylpyrrole-2-carboxylate.
Chemical Property Profile of Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
Property Insights of Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 0.7392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate?
The CAS number of Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate is 306936-53-8.
What is the molecular formula of Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate is C7H8ClNO4S.
What is the molecular weight of Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate is 236.99 g/mol.
Where can I buy Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.