AB00744651-01
TL;DR: AB00744651-01 (CAS 848741-92-4) is a chemical compound with molecular formula C27H25N5O2 and molecular weight 451.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(5-cyano-11-methyl-2-oxo-7-pentyl-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: AB00744651-01, (2E)-N-[(2E)-3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-phenylprop-2-enamide, (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)cinnamamide
| Molecular Formula | C27H25N5O2 |
|---|---|
| Molecular Weight | 451.20 g/mol |
| LogP | 4.1602 |
| Topological Polar Surface Area | 92.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.20084 |
| Heavy Atoms | 34 |
| Complexity | 1570.9813 |
Chemical Identifiers
| CAS Number | 848741-92-4 |
|---|---|
| SMILES | CCCCCN1C2=C(C=C(C1=NC(=O)/C=C/C3=CC=CC=C3)C#N)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
AB00744651-01 (CAS 848741-92-4), with molecular formula C27H25N5O2 and molecular weight 451.20 g/mol. IUPAC: (E)-N-(5-cyano-11-methyl-2-oxo-7-pentyl-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 AB00744651-01
Property Insights of AB00744651-01
The XLogP value of 4.1602 indicates that AB00744651-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00744651-01. Following Lipinski's Rule of Five, AB00744651-01 has 0 hydrogen bond donor(s) and 4 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 AB00744651-01?
The CAS number of AB00744651-01 is 848741-92-4.
What is the molecular formula of AB00744651-01?
The molecular formula of AB00744651-01 is C27H25N5O2.
What is the molecular weight of AB00744651-01?
The molecular weight of AB00744651-01 is 451.20 g/mol.
Where can I buy AB00744651-01?
You can request a quote for AB00744651-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00744651-01?
Yes, KEHONG BIO provides custom synthesis services for AB00744651-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.