ChemDiv1_005718
TL;DR: ChemDiv1_005718 (CAS 332117-29-0) is a chemical compound with molecular formula C18H19N5O5 and molecular weight 385.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
Also Known As: ChemDiv1_005718, VU0488825-1, F0911-4316, Ethyl 4-[[2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)acetyl]amino]benzoate, ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
| Molecular Formula | C18H19N5O5 |
|---|---|
| Molecular Weight | 385.14 g/mol |
| LogP | 0.2491 |
| Topological Polar Surface Area | 117.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.1386 |
| Heavy Atoms | 28 |
| Complexity | 1170.025 |
Chemical Identifiers
| CAS Number | 332117-29-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C |
Product Overview
ChemDiv1_005718 (CAS 332117-29-0), with molecular formula C18H19N5O5 and molecular weight 385.14 g/mol. IUPAC: ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate.
Chemical Property Profile of ChemDiv1_005718
Property Insights of ChemDiv1_005718
The XLogP value of 0.2491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005718. The TPSA of 117.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005718. Following Lipinski's Rule of Five, ChemDiv1_005718 has 1 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 ChemDiv1_005718?
The CAS number of ChemDiv1_005718 is 332117-29-0.
What is the molecular formula of ChemDiv1_005718?
The molecular formula of ChemDiv1_005718 is C18H19N5O5.
What is the molecular weight of ChemDiv1_005718?
The molecular weight of ChemDiv1_005718 is 385.14 g/mol.
Where can I buy ChemDiv1_005718?
You can request a quote for ChemDiv1_005718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005718?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.