AB01305572-01
TL;DR: AB01305572-01 (CAS 606947-45-9) is a chemical compound with molecular formula C19H14BrN3O4 and molecular weight 427.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylamino)-2-[(4-bromophenoxy)methyl]-1,3-oxazole-4-carbonitrile
Also Known As: AB01305572-01, 5-[(1,3-benzodioxol-5-ylmethyl)amino]-2-[(4-bromophenoxy)methyl]-1,3-oxazole-4-carbonitrile, 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-((4-bromophenoxy)methyl)oxazole-4-carbonitrile, 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(4-bromophenoxy)methyl]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C19H14BrN3O4 |
|---|---|
| Molecular Weight | 427.02 g/mol |
| LogP | 4.22858 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.01678 |
| Heavy Atoms | 27 |
| Complexity | 995.1796 |
Chemical Identifiers
| CAS Number | 606947-45-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C(O3)COC4=CC=C(C=C4)Br)C#N |
Product Overview
AB01305572-01 (CAS 606947-45-9), with molecular formula C19H14BrN3O4 and molecular weight 427.02 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(4-bromophenoxy)methyl]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of AB01305572-01
Property Insights of AB01305572-01
The XLogP value of 4.22858 indicates that AB01305572-01 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 AB01305572-01. Following Lipinski's Rule of Five, AB01305572-01 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 AB01305572-01?
The CAS number of AB01305572-01 is 606947-45-9.
What is the molecular formula of AB01305572-01?
The molecular formula of AB01305572-01 is C19H14BrN3O4.
What is the molecular weight of AB01305572-01?
The molecular weight of AB01305572-01 is 427.02 g/mol.
Where can I buy AB01305572-01?
You can request a quote for AB01305572-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01305572-01?
Yes, KEHONG BIO provides custom synthesis services for AB01305572-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.