![ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate structure](/static/products/3029/302935-96-2.webp)
ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
TL;DR: ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate (CAS 302935-96-2) is a chemical compound with molecular formula C18H19N5O3S and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate
Also Known As: ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate, ethyl 2,4-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate, ethyl 2,4-dimethyl-5-{[(1-phenyl-1H-tetraazol-5-yl)thio]acetyl}-1H-pyrrole-3-carboxylate, ethyl 2,4-dimethyl-5-[2-(1-phenyl(1,2,3,4-tetraazol-5-ylthio))acetyl]pyrrole-3 -carboxylate
| Molecular Formula | C18H19N5O3S |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | 2.75894 |
| Topological Polar Surface Area | 102.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.12085 |
| Heavy Atoms | 27 |
| Complexity | 964.79486 |
Chemical Identifiers
| CAS Number | 302935-96-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=NN2C3=CC=CC=C3)C |
Product Overview
ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate (CAS 302935-96-2), with molecular formula C18H19N5O3S and molecular weight 385.12 g/mol. IUPAC: ethyl 2,4-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
Property Insights of ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
The XLogP value of 2.75894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate. The TPSA of 102.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 7 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 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate is 302935-96-2.
What is the molecular formula of ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate is C18H19N5O3S.
What is the molecular weight of ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate is 385.12 g/mol.
Where can I buy ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-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 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2,4-dimethyl-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.