F1174-3053
TL;DR: F1174-3053 (CAS 379236-78-9) is a chemical compound with molecular formula C26H23N3O7S2 and molecular weight 553.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxylate
Also Known As: F1174-3053, AF-399/40756774, dimethyl 5-(2-((3-allyl-5-(5-methylfuran-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)isophthalate, 1,3-dimethyl 5-(2-{[5-(5-methylfuran-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)benzene-1,3-dicarboxylate, dimethyl 5-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxylate
| Molecular Formula | C26H23N3O7S2 |
|---|---|
| Molecular Weight | 553.10 g/mol |
| LogP | 4.51642 |
| Topological Polar Surface Area | 129.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 553.0977 |
| Heavy Atoms | 38 |
| Complexity | 1582.5386 |
Chemical Identifiers
| CAS Number | 379236-78-9 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC)CC=C |
Product Overview
F1174-3053 (CAS 379236-78-9), with molecular formula C26H23N3O7S2 and molecular weight 553.10 g/mol. IUPAC: dimethyl 5-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of F1174-3053
Property Insights of F1174-3053
The XLogP value of 4.51642 indicates that F1174-3053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.73 Ų falls within the moderate polarity range, balancing permeability and solubility for F1174-3053. Following Lipinski's Rule of Five, F1174-3053 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1174-3053?
The CAS number of F1174-3053 is 379236-78-9.
What is the molecular formula of F1174-3053?
The molecular formula of F1174-3053 is C26H23N3O7S2.
What is the molecular weight of F1174-3053?
The molecular weight of F1174-3053 is 553.10 g/mol.
Where can I buy F1174-3053?
You can request a quote for F1174-3053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1174-3053?
Yes, KEHONG BIO provides custom synthesis services for F1174-3053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.