F0513-0127
TL;DR: F0513-0127 (CAS 362501-37-9) is a chemical compound with molecular formula C23H20BrN3O4S2 and molecular weight 545.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F0513-0127, ethyl 4-(2-((3-(4-bromophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamido)benzoate, ethyl 4-(2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate, ethyl 4-[[2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C23H20BrN3O4S2 |
|---|---|
| Molecular Weight | 545.01 g/mol |
| LogP | 4.5507 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.0079 |
| Heavy Atoms | 33 |
| Complexity | 1244.3016 |
Chemical Identifiers
| CAS Number | 362501-37-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Br)SCC3 |
Product Overview
F0513-0127 (CAS 362501-37-9), with molecular formula C23H20BrN3O4S2 and molecular weight 545.01 g/mol. IUPAC: ethyl 4-[[2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F0513-0127
Property Insights of F0513-0127
The XLogP value of 4.5507 indicates that F0513-0127 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F0513-0127. Following Lipinski's Rule of Five, F0513-0127 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 F0513-0127?
The CAS number of F0513-0127 is 362501-37-9.
What is the molecular formula of F0513-0127?
The molecular formula of F0513-0127 is C23H20BrN3O4S2.
What is the molecular weight of F0513-0127?
The molecular weight of F0513-0127 is 545.01 g/mol.
Where can I buy F0513-0127?
You can request a quote for F0513-0127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0513-0127?
Yes, KEHONG BIO provides custom synthesis services for F0513-0127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.