F0513-0449
TL;DR: F0513-0449 (CAS 362502-01-0) is a chemical compound with molecular formula C25H25N3O5S2 and molecular weight 511.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F0513-0449, ethyl 4-(2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamido)benzoate, ethyl 4-(2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate, ethyl 4-[[2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C25H25N3O5S2 |
|---|---|
| Molecular Weight | 511.12 g/mol |
| LogP | 4.1869 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 511.12357 |
| Heavy Atoms | 35 |
| Complexity | 1274.0 |
Chemical Identifiers
| CAS Number | 362502-01-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)OCC |
Product Overview
F0513-0449 (CAS 362502-01-0), with molecular formula C25H25N3O5S2 and molecular weight 511.12 g/mol. IUPAC: ethyl 4-[[2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F0513-0449
Property Insights of F0513-0449
The XLogP value of 4.1869 indicates that F0513-0449 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for F0513-0449. Following Lipinski's Rule of Five, F0513-0449 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0513-0449?
The CAS number of F0513-0449 is 362502-01-0.
What is the molecular formula of F0513-0449?
The molecular formula of F0513-0449 is C25H25N3O5S2.
What is the molecular weight of F0513-0449?
The molecular weight of F0513-0449 is 511.12 g/mol.
Where can I buy F0513-0449?
You can request a quote for F0513-0449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0513-0449?
Yes, KEHONG BIO provides custom synthesis services for F0513-0449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.