A3899/0165839
TL;DR: A3899/0165839 (CAS 726199-16-2) is a chemical compound with molecular formula C22H27N5O3 and molecular weight 409.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
Also Known As: A3899/0165839, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-hydroxy-1,3-diazaspiro[5.5]undeca-1,3-diene-5-carbonitrile, 10-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile, 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
| Molecular Formula | C22H27N5O3 |
|---|---|
| Molecular Weight | 409.21 g/mol |
| LogP | 1.86138 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.2114 |
| Heavy Atoms | 30 |
| Complexity | 894.52435 |
Chemical Identifiers
| CAS Number | 726199-16-2 |
|---|---|
| SMILES | C1CCC2(CC1)C(C(=O)NC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C#N |
Product Overview
A3899/0165839 (CAS 726199-16-2), with molecular formula C22H27N5O3 and molecular weight 409.21 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile.
Chemical Property Profile of A3899/0165839
Property Insights of A3899/0165839
The XLogP value of 1.86138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3899/0165839. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for A3899/0165839. Following Lipinski's Rule of Five, A3899/0165839 has 1 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 A3899/0165839?
The CAS number of A3899/0165839 is 726199-16-2.
What is the molecular formula of A3899/0165839?
The molecular formula of A3899/0165839 is C22H27N5O3.
What is the molecular weight of A3899/0165839?
The molecular weight of A3899/0165839 is 409.21 g/mol.
Where can I buy A3899/0165839?
You can request a quote for A3899/0165839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3899/0165839?
Yes, KEHONG BIO provides custom synthesis services for A3899/0165839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.