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邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈
TL;DR: 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈 (CAS 52333-97-8) is a chemical compound with molecular formula C13H7N3O and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈
2-([1,3]oxazolo[5,4-b]pyridin-2-yl)benzonitrile
Also Known As: BENZONITRILE, o-(2-OXAZOLO(5,4-b)PYRIDINYL)-, 2-([1,3]oxazolo[5,4-b]pyridin-2-yl)benzonitrile, o-(2-Oxazolo(5,4-b)pyridinyl)benzonitrile, 2-oxazolo[5,4-b]pyridin-2-ylBenzonitrile, o-(Oxazolo[5,4-b]pyridin-2-yl)benzonitrile
| Molecular Formula | C13H7N3O |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.05891 |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 52333-97-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)C2=NC3=C(O2)N=CC=C3 |
| InChIKey | XBXRFKHLHRVQBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈 (CAS 52333-97-8), with molecular formula C13H7N3O and molecular weight 221.06 g/mol. IUPAC: 2-([1,3]oxazolo[5,4-b]pyridin-2-yl)benzonitrile.
Chemical Property Profile of 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈
Property Insights of 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈. Following Lipinski's Rule of Five, 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈 has 0 hydrogen bond donor(s) and 4 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 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈?
The CAS number of 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈 is 52333-97-8.
What is the molecular formula of 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈?
The molecular formula of 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈 is C13H7N3O.
What is the molecular weight of 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈?
The molecular weight of 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈 is 221.06 g/mol.
Where can I buy 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈?
You can request a quote for 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 邻-(2-恶唑并[5,4-b]吡啶基)苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.