AP-906/42087075
TL;DR: AP-906/42087075 (CAS 685845-75-4) is a chemical compound with molecular formula C11H11N3O3S and molecular weight 265.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetic acid
Also Known As: AP-906/42087075, (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetic acid, 2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetic acid, 2-{3-oxo-8-thia-4,5,6-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-4-yl}acetic acid, 2-(4-oxo-5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]1,2,3-triazin-3-yl)acetic a cid
| Molecular Formula | C11H11N3O3S |
|---|---|
| Molecular Weight | 265.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.05212 |
| Heavy Atoms | 18 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 685845-75-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=NN(C3=O)CC(=O)O |
| InChIKey | ICIOUJXPXSENES-UHFFFAOYSA-N |
Product Overview
AP-906/42087075 (CAS 685845-75-4), with molecular formula C11H11N3O3S and molecular weight 265.05 g/mol. IUPAC: 2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetic acid.
Chemical Property Profile of AP-906/42087075
Property Insights of AP-906/42087075
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-906/42087075. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-906/42087075. Following Lipinski's Rule of Five, AP-906/42087075 has 1 hydrogen bond donor(s) and 6 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-906/42087075?
The CAS number of AP-906/42087075 is 685845-75-4.
What is the molecular formula of AP-906/42087075?
The molecular formula of AP-906/42087075 is C11H11N3O3S.
What is the molecular weight of AP-906/42087075?
The molecular weight of AP-906/42087075 is 265.05 g/mol.
Where can I buy AP-906/42087075?
You can request a quote for AP-906/42087075 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-906/42087075?
Yes, KEHONG BIO provides custom synthesis services for AP-906/42087075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.