Xg076
TL;DR: Xg076 (CAS 104857-27-4) is a chemical compound with molecular formula C12H8N2OS and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Also Known As: xg076, 7-Aza-2-phenylbenzisothizol-3-one, 2-Phenyl-isothiazolo[5,4-b]pyridin-3-one, 2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one, 2-phenylisothiazolo[5,4-b]pyridin-3(2H)-one
| Molecular Formula | C12H8N2OS |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 58.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.03574 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 104857-27-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC=C3 |
| InChIKey | LUMATLSEPMKELP-UHFFFAOYSA-N |
Product Overview
Xg076 (CAS 104857-27-4), with molecular formula C12H8N2OS and molecular weight 228.04 g/mol. IUPAC: 2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one.
Chemical Property Profile of Xg076
Property Insights of Xg076
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xg076. With a topological polar surface area (TPSA) of 58.5 Ų, Xg076 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xg076 has 0 hydrogen bond donor(s) and 3 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 Xg076?
The CAS number of Xg076 is 104857-27-4.
What is the molecular formula of Xg076?
The molecular formula of Xg076 is C12H8N2OS.
What is the molecular weight of Xg076?
The molecular weight of Xg076 is 228.04 g/mol.
Where can I buy Xg076?
You can request a quote for Xg076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xg076?
Yes, KEHONG BIO provides custom synthesis services for Xg076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.