BAS 00387093
TL;DR: BAS 00387093 (CAS 114145-32-3) is a chemical compound with molecular formula C18H19BrN4O4 and molecular weight 434.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(7-benzyl-8-bromo-3-methyl-2,6-dioxopurin-1-yl)propanoate
Also Known As: BAS 00387093, ethyl 3-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoate, ethyl 3-(7-benzyl-8-bromo-3-methyl-2,6-dioxopurin-1-yl)propanoate, 3-(7-Benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-propionic, 3-(7-BZL-8-BR-3-ME-2,6-DIOXO-2,3,6,7-4H-PURIN-1-YL)-PROPIONIC ACID ETHYL ESTER
| Molecular Formula | C18H19BrN4O4 |
|---|---|
| Molecular Weight | 434.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.05896 |
| Heavy Atoms | 27 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 114145-32-3 |
|---|---|
| SMILES | CCOC(=O)CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C |
| InChIKey | LBRKUHRIKDEJJJ-UHFFFAOYSA-N |
Product Overview
BAS 00387093 (CAS 114145-32-3), with molecular formula C18H19BrN4O4 and molecular weight 434.06 g/mol. IUPAC: ethyl 3-(7-benzyl-8-bromo-3-methyl-2,6-dioxopurin-1-yl)propanoate.
Chemical Property Profile of BAS 00387093
Property Insights of BAS 00387093
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00387093. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00387093. Following Lipinski's Rule of Five, BAS 00387093 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 BAS 00387093?
The CAS number of BAS 00387093 is 114145-32-3.
What is the molecular formula of BAS 00387093?
The molecular formula of BAS 00387093 is C18H19BrN4O4.
What is the molecular weight of BAS 00387093?
The molecular weight of BAS 00387093 is 434.06 g/mol.
Where can I buy BAS 00387093?
You can request a quote for BAS 00387093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00387093?
Yes, KEHONG BIO provides custom synthesis services for BAS 00387093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.