AB00744650-01
TL;DR: AB00744650-01 (CAS 845982-75-4) is a chemical compound with molecular formula C25H21N5O3 and molecular weight 439.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-cyano-7-(2-methoxyethyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3-phenylprop-2-enamide
Also Known As: AB00744650-01, (2E)-N-[(2E)-3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-phenylprop-2-enamide, (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)cinnamamide
| Molecular Formula | C25H21N5O3 |
|---|---|
| Molecular Weight | 439.16 g/mol |
| LogP | 2.6164 |
| Topological Polar Surface Area | 101.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.16443 |
| Heavy Atoms | 33 |
| Complexity | 1557.3102 |
Chemical Identifiers
| CAS Number | 845982-75-4 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)/C=C/C4=CC=CC=C4)N3CCOC)C#N |
Product Overview
AB00744650-01 (CAS 845982-75-4), with molecular formula C25H21N5O3 and molecular weight 439.16 g/mol. IUPAC: (E)-N-[5-cyano-7-(2-methoxyethyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3-phenylprop-2-enamide.
Chemical Property Profile of AB00744650-01
Property Insights of AB00744650-01
The XLogP value of 2.6164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00744650-01. The TPSA of 101.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00744650-01. Following Lipinski's Rule of Five, AB00744650-01 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 AB00744650-01?
The CAS number of AB00744650-01 is 845982-75-4.
What is the molecular formula of AB00744650-01?
The molecular formula of AB00744650-01 is C25H21N5O3.
What is the molecular weight of AB00744650-01?
The molecular weight of AB00744650-01 is 439.16 g/mol.
Where can I buy AB00744650-01?
You can request a quote for AB00744650-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00744650-01?
Yes, KEHONG BIO provides custom synthesis services for AB00744650-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.