ChemDiv1_014701
TL;DR: ChemDiv1_014701 (CAS 477229-52-0) is a chemical compound with molecular formula C26H26ClN5O and molecular weight 459.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[[7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
Also Known As: ChemDiv1_014701, F0532-0379, 1-(3-{[7-(3-chloro-4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl)pyrrolidin-2-one, 1-(3-((7-(3-chloro-4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)propyl)pyrrolidin-2-one, 1-[3-[[7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
| Molecular Formula | C26H26ClN5O |
|---|---|
| Molecular Weight | 459.18 g/mol |
| LogP | 5.47372 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.1826 |
| Heavy Atoms | 33 |
| Complexity | 1301.0387 |
Chemical Identifiers
| CAS Number | 477229-52-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C=C(C3=C(N=CN=C32)NCCCN4CCCC4=O)C5=CC=CC=C5)Cl |
Product Overview
ChemDiv1_014701 (CAS 477229-52-0), with molecular formula C26H26ClN5O and molecular weight 459.18 g/mol. IUPAC: 1-[3-[[7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.
Chemical Property Profile of ChemDiv1_014701
Property Insights of ChemDiv1_014701
The XLogP value of 5.47372 indicates that ChemDiv1_014701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014701. Following Lipinski's Rule of Five, ChemDiv1_014701 has 1 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_014701?
The CAS number of ChemDiv1_014701 is 477229-52-0.
What is the molecular formula of ChemDiv1_014701?
The molecular formula of ChemDiv1_014701 is C26H26ClN5O.
What is the molecular weight of ChemDiv1_014701?
The molecular weight of ChemDiv1_014701 is 459.18 g/mol.
Where can I buy ChemDiv1_014701?
You can request a quote for ChemDiv1_014701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014701?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.