AB01291976-01
TL;DR: AB01291976-01 (CAS 845661-69-0) is a chemical compound with molecular formula C24H21N3O3 and molecular weight 399.16 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-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
Also Known As: AB01291976-01, 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile, 5-((3,4-dimethoxyphenethyl)amino)-2-(naphthalen-1-yl)oxazole-4-carbonitrile, 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
| Molecular Formula | C24H21N3O3 |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 5.03828 |
| Topological Polar Surface Area | 80.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.1583 |
| Heavy Atoms | 30 |
| Complexity | 1218.8239 |
Chemical Identifiers
| CAS Number | 845661-69-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)C3=CC=CC4=CC=CC=C43)C#N)OC |
Product Overview
AB01291976-01 (CAS 845661-69-0), with molecular formula C24H21N3O3 and molecular weight 399.16 g/mol. IUPAC: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of AB01291976-01
Property Insights of AB01291976-01
The XLogP value of 5.03828 indicates that AB01291976-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01291976-01. Following Lipinski's Rule of Five, AB01291976-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01291976-01?
The CAS number of AB01291976-01 is 845661-69-0.
What is the molecular formula of AB01291976-01?
The molecular formula of AB01291976-01 is C24H21N3O3.
What is the molecular weight of AB01291976-01?
The molecular weight of AB01291976-01 is 399.16 g/mol.
Where can I buy AB01291976-01?
You can request a quote for AB01291976-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01291976-01?
Yes, KEHONG BIO provides custom synthesis services for AB01291976-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.