AB01312467-01
TL;DR: AB01312467-01 (CAS 845653-55-6) is a chemical compound with molecular formula C23H25N3O4 and molecular weight 407.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile
Also Known As: AB01312467-01, 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile, 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile, AO-022/43453409, 5-((3,4-dimethoxyphenethyl)amino)-2-(4-propoxyphenyl)oxazole-4-carbonitrile
| Molecular Formula | C23H25N3O4 |
|---|---|
| Molecular Weight | 407.18 g/mol |
| LogP | 4.67388 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 407.1845 |
| Heavy Atoms | 30 |
| Complexity | 1006.27795 |
Chemical Identifiers
| CAS Number | 845653-55-6 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2=NC(=C(O2)NCCC3=CC(=C(C=C3)OC)OC)C#N |
Product Overview
AB01312467-01 (CAS 845653-55-6), with molecular formula C23H25N3O4 and molecular weight 407.18 g/mol. IUPAC: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of AB01312467-01
Property Insights of AB01312467-01
The XLogP value of 4.67388 indicates that AB01312467-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01312467-01. Following Lipinski's Rule of Five, AB01312467-01 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 AB01312467-01?
The CAS number of AB01312467-01 is 845653-55-6.
What is the molecular formula of AB01312467-01?
The molecular formula of AB01312467-01 is C23H25N3O4.
What is the molecular weight of AB01312467-01?
The molecular weight of AB01312467-01 is 407.18 g/mol.
Where can I buy AB01312467-01?
You can request a quote for AB01312467-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01312467-01?
Yes, KEHONG BIO provides custom synthesis services for AB01312467-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.