ChemDiv2_003624
TL;DR: ChemDiv2_003624 (CAS 2588-85-4) is a chemical compound with molecular formula C14H12N4O and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline
Also Known As: ChemDiv2_003624, 3,3'-(1,3,4-oxadiazole-2,5-diyl)dianiline, 2,5-bis(3-aminophenyl)-1,3,4-oxadiazole, IDI1_002339, 3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline
| Molecular Formula | C14H12N4O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 91.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.1011 |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 2588-85-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N)C2=NN=C(O2)C3=CC(=CC=C3)N |
| InChIKey | HJLLHYNMAUWCNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ChemDiv2_003624 (CAS 2588-85-4), with molecular formula C14H12N4O and molecular weight 252.10 g/mol. IUPAC: 3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline.
Chemical Property Profile of ChemDiv2_003624
Property Insights of ChemDiv2_003624
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_003624. The TPSA of 91.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003624. Following Lipinski's Rule of Five, ChemDiv2_003624 has 2 hydrogen bond donor(s) and 5 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 ChemDiv2_003624?
The CAS number of ChemDiv2_003624 is 2588-85-4.
What is the molecular formula of ChemDiv2_003624?
The molecular formula of ChemDiv2_003624 is C14H12N4O.
What is the molecular weight of ChemDiv2_003624?
The molecular weight of ChemDiv2_003624 is 252.10 g/mol.
Where can I buy ChemDiv2_003624?
You can request a quote for ChemDiv2_003624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003624?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.