![methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate structure](/static/products/4960/496026-22-3.webp)
methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
TL;DR: methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate (CAS 496026-22-3) is a chemical compound with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dimethyl-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate
Also Known As: methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
| Molecular Formula | C22H19N3O3S2 |
|---|---|
| Molecular Weight | 437.09 g/mol |
| LogP | 5.06484 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.0868 |
| Heavy Atoms | 30 |
| Complexity | 1245.4917 |
Chemical Identifiers
| CAS Number | 496026-22-3 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4 |
Product Overview
methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate (CAS 496026-22-3), with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol. IUPAC: methyl 2,4-dimethyl-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
Property Insights of methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
The XLogP value of 5.06484 indicates that methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
The CAS number of methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate is 496026-22-3.
What is the molecular formula of methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate is C22H19N3O3S2.
What is the molecular weight of methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate is 437.09 g/mol.
Where can I buy methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-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 methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2,4-dimethyl-5-{[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.