A3440/0146014
TL;DR: A3440/0146014 (CAS 696613-97-5) is a chemical compound with molecular formula C22H24N2O5 and molecular weight 396.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3-[1-(4-nitrophenyl)pyrrol-2-yl]-2-oxaspiro[5.5]undecane-1,5-dione
Also Known As: A3440/0146014, 4,4-dimethyl-3-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)-2-oxaspiro[5.5]undecane-1,5-dione, 4,4-Dimethyl-3-[1-(4-nitro-phenyl)-1H-pyrrol-2-yl]-2-oxa-spiro[5.5]undecane-1,5-dione, 4,4-dimethyl-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-1,5-dione, 8,8-dimethyl-9-[1-(4-nitrophenyl)pyrrol-2-yl]-10-oxaspiro[5.5]undecane-7,11-dione
| Molecular Formula | C22H24N2O5 |
|---|---|
| Molecular Weight | 396.17 g/mol |
| LogP | 4.5292 |
| Topological Polar Surface Area | 91.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.16852 |
| Heavy Atoms | 29 |
| Complexity | 967.34375 |
Chemical Identifiers
| CAS Number | 696613-97-5 |
|---|---|
| SMILES | CC1(C(OC(=O)C2(C1=O)CCCCC2)C3=CC=CN3C4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
A3440/0146014 (CAS 696613-97-5), with molecular formula C22H24N2O5 and molecular weight 396.17 g/mol. IUPAC: 4,4-dimethyl-3-[1-(4-nitrophenyl)pyrrol-2-yl]-2-oxaspiro[5.5]undecane-1,5-dione.
Chemical Property Profile of A3440/0146014
Property Insights of A3440/0146014
The XLogP value of 4.5292 indicates that A3440/0146014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.44 Ų falls within the moderate polarity range, balancing permeability and solubility for A3440/0146014. Following Lipinski's Rule of Five, A3440/0146014 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 A3440/0146014?
The CAS number of A3440/0146014 is 696613-97-5.
What is the molecular formula of A3440/0146014?
The molecular formula of A3440/0146014 is C22H24N2O5.
What is the molecular weight of A3440/0146014?
The molecular weight of A3440/0146014 is 396.17 g/mol.
Where can I buy A3440/0146014?
You can request a quote for A3440/0146014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3440/0146014?
Yes, KEHONG BIO provides custom synthesis services for A3440/0146014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.