Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate
TL;DR: Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate (CAS 306936-29-8) is a chemical compound with molecular formula C20H18ClNO4S and molecular weight 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate
Also Known As: ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate, ETHYL 4-(CHLOROSULFONYL)-2-METHYL-1,5-DIPHENYL-1H-PYRROLE-3-CARBOXYLATE, Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenyl-pyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylicacid, 4-(chlorosulfonyl)-2-methyl-1,5-diphenyl-, ethyl ester
| Molecular Formula | C20H18ClNO4S |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | 4.55692 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.0645 |
| Heavy Atoms | 27 |
| Complexity | 1074.1744 |
Chemical Identifiers
| CAS Number | 306936-29-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1S(=O)(=O)Cl)C2=CC=CC=C2)C3=CC=CC=C3)C |
Product Overview
Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate (CAS 306936-29-8), with molecular formula C20H18ClNO4S and molecular weight 403.06 g/mol. IUPAC: ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate.
Chemical Property Profile of Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate
Property Insights of Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate
The XLogP value of 4.55692 indicates that Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-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 Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate?
The CAS number of Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate is 306936-29-8.
What is the molecular formula of Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate?
The molecular formula of Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate is C20H18ClNO4S.
What is the molecular weight of Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate?
The molecular weight of Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate is 403.06 g/mol.
Where can I buy Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate?
You can request a quote for Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.