ChemDiv1_013633
TL;DR: ChemDiv1_013633 (CAS 422292-89-5) is a chemical compound with molecular formula C33H37N5O4S and molecular weight 599.26 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]methyl]cyclohexane-1-carboxamide
Also Known As: ChemDiv1_013633, F3407-3983, N-[(furan-2-yl)methyl]-4-[(4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazolin-3-yl)methyl]cyclohexane-1-carboxamide, N-(furan-2-ylmethyl)-4-[[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-3-yl]methyl]cyclohexane-1-carboxamide, N-(2-furylmethyl)-4-{[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thio}quinazolin-3(4H)-yl]methyl}cyclohexanecarboxamide
| Molecular Formula | C33H37N5O4S |
|---|---|
| Molecular Weight | 599.26 g/mol |
| LogP | 4.5532 |
| Topological Polar Surface Area | 100.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 599.25665 |
| Heavy Atoms | 43 |
| Complexity | 1590.8475 |
Chemical Identifiers
| CAS Number | 422292-89-5 |
|---|---|
| SMILES | C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)NCC6=CC=CO6 |
Product Overview
ChemDiv1_013633 (CAS 422292-89-5), with molecular formula C33H37N5O4S and molecular weight 599.26 g/mol. IUPAC: N-(furan-2-ylmethyl)-4-[[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-3-yl]methyl]cyclohexane-1-carboxamide.
Chemical Property Profile of ChemDiv1_013633
Property Insights of ChemDiv1_013633
The XLogP value of 4.5532 indicates that ChemDiv1_013633 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_013633. Following Lipinski's Rule of Five, ChemDiv1_013633 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_013633?
The CAS number of ChemDiv1_013633 is 422292-89-5.
What is the molecular formula of ChemDiv1_013633?
The molecular formula of ChemDiv1_013633 is C33H37N5O4S.
What is the molecular weight of ChemDiv1_013633?
The molecular weight of ChemDiv1_013633 is 599.26 g/mol.
Where can I buy ChemDiv1_013633?
You can request a quote for ChemDiv1_013633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013633?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.