AP-906/41651019
TL;DR: AP-906/41651019 (CAS 514182-05-9) is a chemical compound with molecular formula C19H25N3O4S2 and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AP-906/41651019, methyl 2-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-tert-butyl-2-{[(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-(tert-butyl)-2-[2-(2-imino-4-oxo(1,3-thiazolidin-5-yl))acetylamino]-4 ,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C19H25N3O4S2 |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 2.971 |
| Topological Polar Surface Area | 110.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.12866 |
| Heavy Atoms | 28 |
| Complexity | 854.0956 |
Chemical Identifiers
| CAS Number | 514182-05-9 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3C(=O)N=C(S3)N |
Product Overview
AP-906/41651019 (CAS 514182-05-9), with molecular formula C19H25N3O4S2 and molecular weight 423.13 g/mol. IUPAC: methyl 2-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AP-906/41651019
Property Insights of AP-906/41651019
The XLogP value of 2.971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-906/41651019. The TPSA of 110.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-906/41651019. Following Lipinski's Rule of Five, AP-906/41651019 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AP-906/41651019?
The CAS number of AP-906/41651019 is 514182-05-9.
What is the molecular formula of AP-906/41651019?
The molecular formula of AP-906/41651019 is C19H25N3O4S2.
What is the molecular weight of AP-906/41651019?
The molecular weight of AP-906/41651019 is 423.13 g/mol.
Where can I buy AP-906/41651019?
You can request a quote for AP-906/41651019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-906/41651019?
Yes, KEHONG BIO provides custom synthesis services for AP-906/41651019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.