AF-399/40756775
TL;DR: AF-399/40756775 (CAS 379235-95-7) is a chemical compound with molecular formula C28H27N3O7S2 and molecular weight 581.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 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: AF-399/40756775, 1,3-diethyl 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, diethyl 5-(2-((3-allyl-5-(5-methylfuran-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)isophthalate, F1174-2969, diethyl 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 | C28H27N3O7S2 |
|---|---|
| Molecular Weight | 581.13 g/mol |
| LogP | 5.29662 |
| Topological Polar Surface Area | 129.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 581.129 |
| Heavy Atoms | 40 |
| Complexity | 1615.0402 |
Chemical Identifiers
| CAS Number | 379235-95-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=C(O4)C)C(=O)N2CC=C)C(=O)OCC |
Product Overview
AF-399/40756775 (CAS 379235-95-7), with molecular formula C28H27N3O7S2 and molecular weight 581.13 g/mol. IUPAC: diethyl 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 AF-399/40756775
Property Insights of AF-399/40756775
The XLogP value of 5.29662 indicates that AF-399/40756775 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 AF-399/40756775. Following Lipinski's Rule of Five, AF-399/40756775 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 AF-399/40756775?
The CAS number of AF-399/40756775 is 379235-95-7.
What is the molecular formula of AF-399/40756775?
The molecular formula of AF-399/40756775 is C28H27N3O7S2.
What is the molecular weight of AF-399/40756775?
The molecular weight of AF-399/40756775 is 581.13 g/mol.
Where can I buy AF-399/40756775?
You can request a quote for AF-399/40756775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756775?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.