AF-399/40654559
TL;DR: AF-399/40654559 (CAS 315697-38-2) is a chemical compound with molecular formula C31H28N4O2S2 and molecular weight 552.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
Also Known As: AF-399/40654559, 4,4'-((propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(5,6-dimethylthieno[2,3-d]pyrimidine), F1142-5201, 4-(4-{2-[4-({5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4-YL}OXY)PHENYL]PROPAN-2-YL}PHENOXY)-5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDINE, 4-[4-[2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
| Molecular Formula | C31H28N4O2S2 |
|---|---|
| Molecular Weight | 552.17 g/mol |
| LogP | 8.84018 |
| Topological Polar Surface Area | 70.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 552.16534 |
| Heavy Atoms | 39 |
| Complexity | 1687.216 |
Chemical Identifiers
| CAS Number | 315697-38-2 |
|---|---|
| SMILES | CC1=C(SC2=NC=NC(=C12)OC3=CC=C(C=C3)C(C)(C)C4=CC=C(C=C4)OC5=C6C(=C(SC6=NC=N5)C)C)C |
Product Overview
AF-399/40654559 (CAS 315697-38-2), with molecular formula C31H28N4O2S2 and molecular weight 552.17 g/mol. IUPAC: 4-[4-[2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-5,6-dimethylthieno[2,3-d]pyrimidine.
Chemical Property Profile of AF-399/40654559
Property Insights of AF-399/40654559
The XLogP value of 8.84018 indicates that AF-399/40654559 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40654559. Following Lipinski's Rule of Five, AF-399/40654559 has 0 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 AF-399/40654559?
The CAS number of AF-399/40654559 is 315697-38-2.
What is the molecular formula of AF-399/40654559?
The molecular formula of AF-399/40654559 is C31H28N4O2S2.
What is the molecular weight of AF-399/40654559?
The molecular weight of AF-399/40654559 is 552.17 g/mol.
Where can I buy AF-399/40654559?
You can request a quote for AF-399/40654559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40654559?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40654559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.