AB00684469-01
TL;DR: AB00684469-01 (CAS 534585-84-7) is a chemical compound with molecular formula C27H22N4O4S and molecular weight 498.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-7-(2-phenylethyl)-6-(thiophene-2-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: AB00684469-01, F0565-0920, (Z)-ethyl 5-oxo-1-phenethyl-2-((thiophene-2-carbonyl)imino)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (6Z)-2-oxo-7-(2-phenylethyl)-6-[(thiophene-2-carbonyl)imino]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, ethyl (2Z)-5-oxo-1-(2-phenylethyl)-2-[(thiophen-2-ylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C27H22N4O4S |
|---|---|
| Molecular Weight | 498.14 g/mol |
| LogP | 3.8712 |
| Topological Polar Surface Area | 95.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.13617 |
| Heavy Atoms | 36 |
| Complexity | 1703.7401 |
Chemical Identifiers
| CAS Number | 534585-84-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CC=CS4)CCC5=CC=CC=C5 |
Product Overview
AB00684469-01 (CAS 534585-84-7), with molecular formula C27H22N4O4S and molecular weight 498.14 g/mol. IUPAC: ethyl 2-oxo-7-(2-phenylethyl)-6-(thiophene-2-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of AB00684469-01
Property Insights of AB00684469-01
The XLogP value of 3.8712 indicates that AB00684469-01 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 AB00684469-01. Following Lipinski's Rule of Five, AB00684469-01 has 0 hydrogen bond donor(s) and 6 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 AB00684469-01?
The CAS number of AB00684469-01 is 534585-84-7.
What is the molecular formula of AB00684469-01?
The molecular formula of AB00684469-01 is C27H22N4O4S.
What is the molecular weight of AB00684469-01?
The molecular weight of AB00684469-01 is 498.14 g/mol.
Where can I buy AB00684469-01?
You can request a quote for AB00684469-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684469-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684469-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.