AB00744652-01
TL;DR: AB00744652-01 (CAS 845633-97-8) is a chemical compound with molecular formula C26H25N5O3 and molecular weight 455.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-cyano-7-(3-ethoxypropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3,5-dimethylbenzamide
Also Known As: AB00744652-01, AO-022/43455026, (E)-N-(3-cyano-1-(3-ethoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethylbenzamide, N-[5-Cyano-7-(3-ethoxypropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3,5-dimethylbenzamide, N-[(2E)-3-cyano-1-(3-ethoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,5-dimethylbenzamide
| Molecular Formula | C26H25N5O3 |
|---|---|
| Molecular Weight | 455.20 g/mol |
| LogP | 3.30542 |
| Topological Polar Surface Area | 101.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.19574 |
| Heavy Atoms | 34 |
| Complexity | 1553.949 |
Chemical Identifiers
| CAS Number | 845633-97-8 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=NC(=O)C3=CC(=CC(=C3)C)C)C#N)C(=O)N4C=CC=CC4=N2 |
Product Overview
AB00744652-01 (CAS 845633-97-8), with molecular formula C26H25N5O3 and molecular weight 455.20 g/mol. IUPAC: N-[5-cyano-7-(3-ethoxypropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3,5-dimethylbenzamide.
Chemical Property Profile of AB00744652-01
Property Insights of AB00744652-01
The XLogP value of 3.30542 indicates that AB00744652-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00744652-01. Following Lipinski's Rule of Five, AB00744652-01 has 0 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 AB00744652-01?
The CAS number of AB00744652-01 is 845633-97-8.
What is the molecular formula of AB00744652-01?
The molecular formula of AB00744652-01 is C26H25N5O3.
What is the molecular weight of AB00744652-01?
The molecular weight of AB00744652-01 is 455.20 g/mol.
Where can I buy AB00744652-01?
You can request a quote for AB00744652-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00744652-01?
Yes, KEHONG BIO provides custom synthesis services for AB00744652-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.