AF-399/40756883
TL;DR: AF-399/40756883 (CAS 379236-49-4) is a chemical compound with molecular formula C22H21N3O4S3 and molecular weight 487.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
Also Known As: AF-399/40756883, F1174-3021, ethyl 2-(2-((5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio)acetamido)-4-(5-methylfuran-2-yl)thiophene-3-carboxylate, ETHYL 2-[2-({5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4-YL}SULFANYL)ACETAMIDO]-4-(5-METHYLFURAN-2-YL)THIOPHENE-3-CARBOXYLATE, ethyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
| Molecular Formula | C22H21N3O4S3 |
|---|---|
| Molecular Weight | 487.07 g/mol |
| LogP | 5.84556 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.06943 |
| Heavy Atoms | 32 |
| Complexity | 1305.2281 |
Chemical Identifiers
| CAS Number | 379236-49-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CSC3=NC=NC4=C3C(=C(S4)C)C |
Product Overview
AF-399/40756883 (CAS 379236-49-4), with molecular formula C22H21N3O4S3 and molecular weight 487.07 g/mol. IUPAC: ethyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate.
Chemical Property Profile of AF-399/40756883
Property Insights of AF-399/40756883
The XLogP value of 5.84556 indicates that AF-399/40756883 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40756883. Following Lipinski's Rule of Five, AF-399/40756883 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40756883?
The CAS number of AF-399/40756883 is 379236-49-4.
What is the molecular formula of AF-399/40756883?
The molecular formula of AF-399/40756883 is C22H21N3O4S3.
What is the molecular weight of AF-399/40756883?
The molecular weight of AF-399/40756883 is 487.07 g/mol.
Where can I buy AF-399/40756883?
You can request a quote for AF-399/40756883 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756883?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.