A3735/0158318
TL;DR: A3735/0158318 (CAS 727664-39-3) is a chemical compound with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)butanoate
Also Known As: A3735/0158318, ethyl 4-(1,3-dimethyl-2,4-dioxo-7-phenyl-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl)butanoate, ethyl 4-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)butanoate, ethyl 4-(1,3-dimethyl-2,4-dioxo-7-phenyl-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)butanoate, ETHYL 4-{1,3-DIMETHYL-2,4-DIOXO-7-PHENYL-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURIN-8-YL}BUTANOATE
| Molecular Formula | C21H23N5O4 |
|---|---|
| Molecular Weight | 409.18 g/mol |
| LogP | 1.6967 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.17502 |
| Heavy Atoms | 30 |
| Complexity | 1357.8058 |
Chemical Identifiers
| CAS Number | 727664-39-3 |
|---|---|
| SMILES | CCOC(=O)CCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4 |
Product Overview
A3735/0158318 (CAS 727664-39-3), with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol. IUPAC: ethyl 4-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)butanoate.
Chemical Property Profile of A3735/0158318
Property Insights of A3735/0158318
The XLogP value of 1.6967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3735/0158318. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for A3735/0158318. Following Lipinski's Rule of Five, A3735/0158318 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 A3735/0158318?
The CAS number of A3735/0158318 is 727664-39-3.
What is the molecular formula of A3735/0158318?
The molecular formula of A3735/0158318 is C21H23N5O4.
What is the molecular weight of A3735/0158318?
The molecular weight of A3735/0158318 is 409.18 g/mol.
Where can I buy A3735/0158318?
You can request a quote for A3735/0158318 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3735/0158318?
Yes, KEHONG BIO provides custom synthesis services for A3735/0158318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.