AB00774704-01
TL;DR: AB00774704-01 (CAS 893956-04-2) is a chemical compound with molecular formula C26H27N5O4 and molecular weight 473.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-methyl-2,4-dioxo-3-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl]benzoate
Also Known As: AB00774704-01, ethyl 4-[1-methyl-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4,7,8-hexahydropyrimido[2,1-f]purin-9(6H)-yl]benzoate, ethyl 4-(1-methyl-2,4-dioxo-3-phenethyl-1,2,3,4,7,8-hexahydropyrimido[2,1-f]purin-9(6H)-yl)benzoate, ethyl 4-(1-methyl-2,4-dioxo-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate, ethyl 4-[1-methyl-2,4-dioxo-3-(2-phenylethyl)-1,3,5-trihydro-6H,7H,8H-1,3-diaz aperhydroino[1,2-h]purin-9-yl]benzoate
| Molecular Formula | C26H27N5O4 |
|---|---|
| Molecular Weight | 473.21 g/mol |
| LogP | 2.8579 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.2063 |
| Heavy Atoms | 35 |
| Complexity | 1499.5199 |
Chemical Identifiers
| CAS Number | 893956-04-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC5=CC=CC=C5 |
Product Overview
AB00774704-01 (CAS 893956-04-2), with molecular formula C26H27N5O4 and molecular weight 473.21 g/mol. IUPAC: ethyl 4-[1-methyl-2,4-dioxo-3-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl]benzoate.
Chemical Property Profile of AB00774704-01
Property Insights of AB00774704-01
The XLogP value of 2.8579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00774704-01. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00774704-01. Following Lipinski's Rule of Five, AB00774704-01 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 AB00774704-01?
The CAS number of AB00774704-01 is 893956-04-2.
What is the molecular formula of AB00774704-01?
The molecular formula of AB00774704-01 is C26H27N5O4.
What is the molecular weight of AB00774704-01?
The molecular weight of AB00774704-01 is 473.21 g/mol.
Where can I buy AB00774704-01?
You can request a quote for AB00774704-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00774704-01?
Yes, KEHONG BIO provides custom synthesis services for AB00774704-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.