Propanedinitrile, 2(3H)-benzoxazolylidene-
TL;DR: Propanedinitrile, 2(3H)-benzoxazolylidene- (CAS 58092-45-8) is a chemical compound with molecular formula C10H5N3O and molecular weight 183.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3H-1,3-benzoxazol-2-ylidene)propanedinitrile
Also Known As: 2-Benzoxazolinylidenmalonitril, 2-Benzoxazolinyliden-malonnitril, Propanedinitrile, 2(3H)-benzoxazolylidene-, 2-benzoxazolinylidene-malononitrile, Benzoxazole-2(3H)-ylidenemalononitrile
| Molecular Formula | C10H5N3O |
|---|---|
| Molecular Weight | 183.04 g/mol |
| LogP | 1.74966 |
| Topological Polar Surface Area | 68.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.04326 |
| Heavy Atoms | 14 |
| Complexity | 447.82394 |
Chemical Identifiers
| CAS Number | 58092-45-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=C(C#N)C#N)O2 |
Product Overview
Propanedinitrile, 2(3H)-benzoxazolylidene- (CAS 58092-45-8), with molecular formula C10H5N3O and molecular weight 183.04 g/mol. IUPAC: 2-(3H-1,3-benzoxazol-2-ylidene)propanedinitrile.
Chemical Property Profile of Propanedinitrile, 2(3H)-benzoxazolylidene-
Property Insights of Propanedinitrile, 2(3H)-benzoxazolylidene-
The XLogP value of 1.74966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, 2(3H)-benzoxazolylidene-. The TPSA of 68.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, 2(3H)-benzoxazolylidene-. Following Lipinski's Rule of Five, Propanedinitrile, 2(3H)-benzoxazolylidene- has 1 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 Propanedinitrile, 2(3H)-benzoxazolylidene-?
The CAS number of Propanedinitrile, 2(3H)-benzoxazolylidene- is 58092-45-8.
What is the molecular formula of Propanedinitrile, 2(3H)-benzoxazolylidene-?
The molecular formula of Propanedinitrile, 2(3H)-benzoxazolylidene- is C10H5N3O.
What is the molecular weight of Propanedinitrile, 2(3H)-benzoxazolylidene-?
The molecular weight of Propanedinitrile, 2(3H)-benzoxazolylidene- is 183.04 g/mol.
Where can I buy Propanedinitrile, 2(3H)-benzoxazolylidene-?
You can request a quote for Propanedinitrile, 2(3H)-benzoxazolylidene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, 2(3H)-benzoxazolylidene-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, 2(3H)-benzoxazolylidene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.