BAS 02788133
TL;DR: BAS 02788133 (CAS 172984-91-7) is a chemical compound with molecular formula C16H24N2O5 and molecular weight 324.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-(2-ethoxy-2-oxoethyl)-6-oxo-1,3-diazatricyclo[3.3.1.13,7]decan-5-yl]acetate
Also Known As: BAS 02788133, 5,7-Di(ethoxycarbonylmethyl)-6-oxo-1,3-diazaadamantane, Diethyl 6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))decane-5,7-diacetate, 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decane-5,7-diacetic acid, 6-oxo-, diethyl ester, 1,3-Diazatricyclo[3.3.1.13,7]decane-5,7-diaceticacid, 6-oxo-, 5,7-diethyl ester
| Molecular Formula | C16H24N2O5 |
|---|---|
| Molecular Weight | 324.17 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 324.16852 |
| Heavy Atoms | 23 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 172984-91-7 |
|---|---|
| SMILES | CCOC(=O)CC12CN3CC(C1=O)(CN(C2)C3)CC(=O)OCC |
| InChIKey | RGWOPIBCSWIZMM-UHFFFAOYSA-N |
Product Overview
BAS 02788133 (CAS 172984-91-7), with molecular formula C16H24N2O5 and molecular weight 324.17 g/mol. IUPAC: ethyl 2-[7-(2-ethoxy-2-oxoethyl)-6-oxo-1,3-diazatricyclo[3.3.1.13,7]decan-5-yl]acetate.
Chemical Property Profile of BAS 02788133
Property Insights of BAS 02788133
The XLogP value of -0.5 indicates that BAS 02788133 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02788133. Following Lipinski's Rule of Five, BAS 02788133 has 0 hydrogen bond donor(s) and 7 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 02788133?
The CAS number of BAS 02788133 is 172984-91-7.
What is the molecular formula of BAS 02788133?
The molecular formula of BAS 02788133 is C16H24N2O5.
What is the molecular weight of BAS 02788133?
The molecular weight of BAS 02788133 is 324.17 g/mol.
Where can I buy BAS 02788133?
You can request a quote for BAS 02788133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02788133?
Yes, KEHONG BIO provides custom synthesis services for BAS 02788133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.