F0548-0412
TL;DR: F0548-0412 (CAS 497072-28-3) is a chemical compound with molecular formula C29H25N3O3S and molecular weight 495.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate
Also Known As: F0548-0412, benzyl 2-((7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)thio)acetate, benzyl 2-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}acetate, benzyl 2-[7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate, benzyl [1-(p-ethoxyphenyl)-3-phenyl-1,5,7-triaza-1H-inden-4-ylthio]acetate
| Molecular Formula | C29H25N3O3S |
|---|---|
| Molecular Weight | 495.16 g/mol |
| LogP | 6.3217 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.16165 |
| Heavy Atoms | 36 |
| Complexity | 1452.4402 |
Chemical Identifiers
| CAS Number | 497072-28-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
F0548-0412 (CAS 497072-28-3), with molecular formula C29H25N3O3S and molecular weight 495.16 g/mol. IUPAC: benzyl 2-[7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate.
Chemical Property Profile of F0548-0412
Property Insights of F0548-0412
The XLogP value of 6.3217 indicates that F0548-0412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for F0548-0412. Following Lipinski's Rule of Five, F0548-0412 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0548-0412?
The CAS number of F0548-0412 is 497072-28-3.
What is the molecular formula of F0548-0412?
The molecular formula of F0548-0412 is C29H25N3O3S.
What is the molecular weight of F0548-0412?
The molecular weight of F0548-0412 is 495.16 g/mol.
Where can I buy F0548-0412?
You can request a quote for F0548-0412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0548-0412?
Yes, KEHONG BIO provides custom synthesis services for F0548-0412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.