IK 29
TL;DR: IK 29 (CAS 108381-48-2) is a chemical compound with molecular formula C27H41N5O5 and molecular weight 515.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-4,6-dimethyl-2H-pyrimidine-5,5-dicarboxylate
Also Known As: IK29, IK 29, 4-Benzyloxy-2-chlor-pyrimidin, diethyl 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-4,6-dimethyl-2H-pyrimidine-5,5-dicarboxylate, ethyl 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-4,6-dimethylpyrimidine-5-carboxylate
| Molecular Formula | C27H41N5O5 |
|---|---|
| Molecular Weight | 515.31 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 515.3108 |
| Heavy Atoms | 37 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 108381-48-2 |
|---|---|
| SMILES | CCOC(=O)C1(C(=NC(N=C1C)NCCCCN2CCN(CC2)C3=CC=CC=C3OC)C)C(=O)OCC |
| InChIKey | FTVIKKNKRRYXQZ-UHFFFAOYSA-N |
Product Overview
IK 29 (CAS 108381-48-2), with molecular formula C27H41N5O5 and molecular weight 515.31 g/mol. IUPAC: diethyl 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-4,6-dimethyl-2H-pyrimidine-5,5-dicarboxylate.
Chemical Property Profile of IK 29
Property Insights of IK 29
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IK 29. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IK 29. Following Lipinski's Rule of Five, IK 29 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IK 29?
The CAS number of IK 29 is 108381-48-2.
What is the molecular formula of IK 29?
The molecular formula of IK 29 is C27H41N5O5.
What is the molecular weight of IK 29?
The molecular weight of IK 29 is 515.31 g/mol.
Where can I buy IK 29?
You can request a quote for IK 29 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IK 29?
Yes, KEHONG BIO provides custom synthesis services for IK 29 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.