BAS 10853028
TL;DR: BAS 10853028 (CAS 726199-17-3) is a chemical compound with molecular formula C17H25N5O3 and molecular weight 347.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-cyano-4-oxo-1,3-diazaspiro[5.5]undec-1-en-2-yl)piperazine-1-carboxylate
Also Known As: BAS 10853028, A3961/0168792, ethyl 4-(5-cyano-4-oxo-1,3-diazaspiro[5.5]undec-2-en-2-yl)piperazine-1-carboxylate, ethyl 4-(5-cyano-4-oxo-1,3-diazaspiro[5.5]undec-2-en-2-yl)-1-piperazinecarboxylate, ethyl 4-(7-cyano-8-oxo-9,11-diazaspiro[5.5]undec-10-en-10-yl)piperazine-1-carboxylate
| Molecular Formula | C17H25N5O3 |
|---|---|
| Molecular Weight | 347.20 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.19574 |
| Heavy Atoms | 25 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 726199-17-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC3(CCCCC3)C(C(=O)N2)C#N |
| InChIKey | YCSGPFXRXUIHRO-UHFFFAOYSA-N |
Product Overview
BAS 10853028 (CAS 726199-17-3), with molecular formula C17H25N5O3 and molecular weight 347.20 g/mol. IUPAC: ethyl 4-(5-cyano-4-oxo-1,3-diazaspiro[5.5]undec-1-en-2-yl)piperazine-1-carboxylate.
Chemical Property Profile of BAS 10853028
Property Insights of BAS 10853028
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10853028. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10853028. Following Lipinski's Rule of Five, BAS 10853028 has 1 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 10853028?
The CAS number of BAS 10853028 is 726199-17-3.
What is the molecular formula of BAS 10853028?
The molecular formula of BAS 10853028 is C17H25N5O3.
What is the molecular weight of BAS 10853028?
The molecular weight of BAS 10853028 is 347.20 g/mol.
Where can I buy BAS 10853028?
You can request a quote for BAS 10853028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10853028?
Yes, KEHONG BIO provides custom synthesis services for BAS 10853028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.