AB00744648-01
TL;DR: AB00744648-01 (CAS 844661-67-2) is a chemical compound with molecular formula C27H26N4O4 and molecular weight 470.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 11-methyl-2-oxo-6-[(E)-3-phenylprop-2-enoyl]imino-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: AB00744648-01, (Z)-ethyl 2-(cinnamoylimino)-1-isopropyl-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-10-methyl-5-oxo-2-{[(2E)-3-phenylprop-2-enoyl]imino}-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C27H26N4O4 |
|---|---|
| Molecular Weight | 470.20 g/mol |
| LogP | 3.85592 |
| Topological Polar Surface Area | 95.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.1954 |
| Heavy Atoms | 35 |
| Complexity | 1595.369 |
Chemical Identifiers
| CAS Number | 844661-67-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=NC(=O)/C=C/C4=CC=CC=C4)C(C)C |
Product Overview
AB00744648-01 (CAS 844661-67-2), with molecular formula C27H26N4O4 and molecular weight 470.20 g/mol. IUPAC: ethyl 11-methyl-2-oxo-6-[(E)-3-phenylprop-2-enoyl]imino-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of AB00744648-01
Property Insights of AB00744648-01
The XLogP value of 3.85592 indicates that AB00744648-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00744648-01. Following Lipinski's Rule of Five, AB00744648-01 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 AB00744648-01?
The CAS number of AB00744648-01 is 844661-67-2.
What is the molecular formula of AB00744648-01?
The molecular formula of AB00744648-01 is C27H26N4O4.
What is the molecular weight of AB00744648-01?
The molecular weight of AB00744648-01 is 470.20 g/mol.
Where can I buy AB00744648-01?
You can request a quote for AB00744648-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00744648-01?
Yes, KEHONG BIO provides custom synthesis services for AB00744648-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.