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benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate
TL;DR: benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate (CAS 532965-07-4) is a chemical compound with molecular formula C27H20FN3O2S and molecular weight 469.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate
Also Known As: benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate, F0548-0237, benzyl {[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}acetate, benzyl {[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]thio}acetate, benzyl 2-((7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)thio)acetate
| Molecular Formula | C27H20FN3O2S |
|---|---|
| Molecular Weight | 469.13 g/mol |
| LogP | 6.0621 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.12604 |
| Heavy Atoms | 34 |
| Complexity | 1421.538 |
Chemical Identifiers
| CAS Number | 532965-07-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)F)C5=CC=CC=C5 |
Product Overview
benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate (CAS 532965-07-4), with molecular formula C27H20FN3O2S and molecular weight 469.13 g/mol. IUPAC: benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate.
Chemical Property Profile of benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate
Property Insights of benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate
The XLogP value of 6.0621 indicates that benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate?
The CAS number of benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate is 532965-07-4.
What is the molecular formula of benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate?
The molecular formula of benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate is C27H20FN3O2S.
What is the molecular weight of benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate?
The molecular weight of benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate is 469.13 g/mol.
Where can I buy benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate?
You can request a quote for benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.