ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate
TL;DR: ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate (CAS 306964-90-9) is a chemical compound with molecular formula C14H13N3O4S and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate
Also Known As: Pyrrolyl Heteroaryl Sulfone Deriv., J1.381.734K, ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate, 1h-pyrrole-2-carboxylic acid,1-(1h-benzimidazol-6-ylsulfonyl)-,ethyl ester, ethyl 1-(1H-1,3-benzodiazole-5-sulfonyl)-1H-pyrrole-2-carboxylate
| Molecular Formula | C14H13N3O4S |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.06268 |
| Heavy Atoms | 22 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 306964-90-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CN1S(=O)(=O)C2=CC3=C(C=C2)N=CN3 |
| InChIKey | UVYMCWVOZHENRB-UHFFFAOYSA-N |
Product Overview
ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate (CAS 306964-90-9), with molecular formula C14H13N3O4S and molecular weight 319.06 g/mol. IUPAC: ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate
Property Insights of ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate has 1 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 ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate?
The CAS number of ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate is 306964-90-9.
What is the molecular formula of ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate?
The molecular formula of ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate is C14H13N3O4S.
What is the molecular weight of ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate?
The molecular weight of ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate is 319.06 g/mol.
Where can I buy ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate?
You can request a quote for ethyl 1-(3H-benzimidazol-5-ylsulfonyl)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 ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(3H-benzimidazol-5-ylsulfonyl)pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.