AP-906/41078860
TL;DR: AP-906/41078860 (CAS 433967-80-7) is a chemical compound with molecular formula C22H25N3O3S3 and molecular weight 475.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Also Known As: AP-906/41078860, ethyl 3-({[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate, ethyl 3-(2-((5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate, ethyl 3-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate, ethyl 3-[2-(5,6-dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]-6-meth yl-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate
| Molecular Formula | C22H25N3O3S3 |
|---|---|
| Molecular Weight | 475.11 g/mol |
| LogP | 5.40194 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.1058 |
| Heavy Atoms | 31 |
| Complexity | 1152.0188 |
Chemical Identifiers
| CAS Number | 433967-80-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)CC(CC2)C)NC(=O)CSC3=NC=NC4=C3C(=C(S4)C)C |
Product Overview
AP-906/41078860 (CAS 433967-80-7), with molecular formula C22H25N3O3S3 and molecular weight 475.11 g/mol. IUPAC: ethyl 3-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of AP-906/41078860
Property Insights of AP-906/41078860
The XLogP value of 5.40194 indicates that AP-906/41078860 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-906/41078860. Following Lipinski's Rule of Five, AP-906/41078860 has 1 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 AP-906/41078860?
The CAS number of AP-906/41078860 is 433967-80-7.
What is the molecular formula of AP-906/41078860?
The molecular formula of AP-906/41078860 is C22H25N3O3S3.
What is the molecular weight of AP-906/41078860?
The molecular weight of AP-906/41078860 is 475.11 g/mol.
Where can I buy AP-906/41078860?
You can request a quote for AP-906/41078860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-906/41078860?
Yes, KEHONG BIO provides custom synthesis services for AP-906/41078860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.