ChemDiv1_013451
TL;DR: ChemDiv1_013451 (CAS 422292-07-7) is a chemical compound with molecular formula C29H31N5O4S and molecular weight 545.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-4-[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-3-yl]butanamide
Also Known As: ChemDiv1_013451, F3407-3934, N-[(furan-2-yl)methyl]-4-(4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazolin-3-yl)butanamide, N-(furan-2-ylmethyl)-4-[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-3-yl]butanamide, N-(2-furylmethyl)-4-[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thio}quinazolin-3(4H)-yl]butanamide
| Molecular Formula | C29H31N5O4S |
|---|---|
| Molecular Weight | 545.21 g/mol |
| LogP | 3.527 |
| Topological Polar Surface Area | 100.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 545.20966 |
| Heavy Atoms | 39 |
| Complexity | 1464.3268 |
Chemical Identifiers
| CAS Number | 422292-07-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCC(=O)NCC5=CC=CO5 |
Product Overview
ChemDiv1_013451 (CAS 422292-07-7), with molecular formula C29H31N5O4S and molecular weight 545.21 g/mol. IUPAC: N-(furan-2-ylmethyl)-4-[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-3-yl]butanamide.
Chemical Property Profile of ChemDiv1_013451
Property Insights of ChemDiv1_013451
The XLogP value of 3.527 indicates that ChemDiv1_013451 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013451. Following Lipinski's Rule of Five, ChemDiv1_013451 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013451?
The CAS number of ChemDiv1_013451 is 422292-07-7.
What is the molecular formula of ChemDiv1_013451?
The molecular formula of ChemDiv1_013451 is C29H31N5O4S.
What is the molecular weight of ChemDiv1_013451?
The molecular weight of ChemDiv1_013451 is 545.21 g/mol.
Where can I buy ChemDiv1_013451?
You can request a quote for ChemDiv1_013451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013451?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.