AB00744374-01
TL;DR: AB00744374-01 (CAS 586989-22-2) is a chemical compound with molecular formula C30H33N5O5 and molecular weight 543.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-butyl-5-cyano-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-3,4,5-triethoxybenzamide
Also Known As: AB00744374-01, (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide, N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4,5-triethoxybenzamide
| Molecular Formula | C30H33N5O5 |
|---|---|
| Molecular Weight | 543.25 g/mol |
| LogP | 4.5666 |
| Topological Polar Surface Area | 120.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 543.24817 |
| Heavy Atoms | 40 |
| Complexity | 1719.4807 |
Chemical Identifiers
| CAS Number | 586989-22-2 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C1=NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC)C#N)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
AB00744374-01 (CAS 586989-22-2), with molecular formula C30H33N5O5 and molecular weight 543.25 g/mol. IUPAC: N-(7-butyl-5-cyano-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-3,4,5-triethoxybenzamide.
Chemical Property Profile of AB00744374-01
Property Insights of AB00744374-01
The XLogP value of 4.5666 indicates that AB00744374-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00744374-01. Following Lipinski's Rule of Five, AB00744374-01 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00744374-01?
The CAS number of AB00744374-01 is 586989-22-2.
What is the molecular formula of AB00744374-01?
The molecular formula of AB00744374-01 is C30H33N5O5.
What is the molecular weight of AB00744374-01?
The molecular weight of AB00744374-01 is 543.25 g/mol.
Where can I buy AB00744374-01?
You can request a quote for AB00744374-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00744374-01?
Yes, KEHONG BIO provides custom synthesis services for AB00744374-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.