AB00685605-01
TL;DR: AB00685605-01 (CAS 613649-77-7) is a chemical compound with molecular formula C15H14N4O4 and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
Also Known As: AB00685605-01, 2-(4-nitrophenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile, 2-(4-nitrophenyl)-5-(((tetrahydrofuran-2-yl)methyl)amino)oxazole-4-carbonitrile, 2-(4-nitrophenyl)-5-[(tetrahydrofuran-2-ylmethyl)amino]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C15H14N4O4 |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | 2.71238 |
| Topological Polar Surface Area | 114.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1015 |
| Heavy Atoms | 23 |
| Complexity | 741.82764 |
Chemical Identifiers
| CAS Number | 613649-77-7 |
|---|---|
| SMILES | C1CC(OC1)CNC2=C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N |
Product Overview
AB00685605-01 (CAS 613649-77-7), with molecular formula C15H14N4O4 and molecular weight 314.10 g/mol. IUPAC: 2-(4-nitrophenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of AB00685605-01
Property Insights of AB00685605-01
The XLogP value of 2.71238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685605-01. The TPSA of 114.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685605-01. Following Lipinski's Rule of Five, AB00685605-01 has 1 hydrogen bond donor(s) and 7 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 AB00685605-01?
The CAS number of AB00685605-01 is 613649-77-7.
What is the molecular formula of AB00685605-01?
The molecular formula of AB00685605-01 is C15H14N4O4.
What is the molecular weight of AB00685605-01?
The molecular weight of AB00685605-01 is 314.10 g/mol.
Where can I buy AB00685605-01?
You can request a quote for AB00685605-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685605-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685605-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.