ChemDiv1_014491
TL;DR: ChemDiv1_014491 (CAS 477238-47-4) is a chemical compound with molecular formula C28H31N5O and molecular weight 453.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide
Also Known As: ChemDiv1_014491, 1-(5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide, F0532-0980, 1-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide, [1-(5,7-diphenylpyrrolo[3,2-e]pyrimidin-4-yl)(3-piperidyl)]-N,N-diethylcarboxa mide
| Molecular Formula | C28H31N5O |
|---|---|
| Molecular Weight | 453.25 g/mol |
| LogP | 5.1723 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.25287 |
| Heavy Atoms | 34 |
| Complexity | 1264.2109 |
Chemical Identifiers
| CAS Number | 477238-47-4 |
|---|---|
| SMILES | CCN(CC)C(=O)C1CCCN(C1)C2=NC=NC3=C2C(=CN3C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
ChemDiv1_014491 (CAS 477238-47-4), with molecular formula C28H31N5O and molecular weight 453.25 g/mol. IUPAC: 1-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide.
Chemical Property Profile of ChemDiv1_014491
Property Insights of ChemDiv1_014491
The XLogP value of 5.1723 indicates that ChemDiv1_014491 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.26 Ų, ChemDiv1_014491 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_014491 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014491?
The CAS number of ChemDiv1_014491 is 477238-47-4.
What is the molecular formula of ChemDiv1_014491?
The molecular formula of ChemDiv1_014491 is C28H31N5O.
What is the molecular weight of ChemDiv1_014491?
The molecular weight of ChemDiv1_014491 is 453.25 g/mol.
Where can I buy ChemDiv1_014491?
You can request a quote for ChemDiv1_014491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014491?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.