ChemDiv1_013587
TL;DR: ChemDiv1_013587 (CAS 422292-67-9) is a chemical compound with molecular formula C30H32N4O4S and molecular weight 544.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
Also Known As: ChemDiv1_013587, 4-[(2-{[(benzylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide, F3407-3966, 4-((2-((2-(benzylamino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)methyl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide, 4-[[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
| Molecular Formula | C30H32N4O4S |
|---|---|
| Molecular Weight | 544.21 g/mol |
| LogP | 4.5208 |
| Topological Polar Surface Area | 106.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 544.2144 |
| Heavy Atoms | 39 |
| Complexity | 1461.6112 |
Chemical Identifiers
| CAS Number | 422292-67-9 |
|---|---|
| SMILES | C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4)C(=O)NCC5=CC=CO5 |
Product Overview
ChemDiv1_013587 (CAS 422292-67-9), with molecular formula C30H32N4O4S and molecular weight 544.21 g/mol. IUPAC: 4-[[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide.
Chemical Property Profile of ChemDiv1_013587
Property Insights of ChemDiv1_013587
The XLogP value of 4.5208 indicates that ChemDiv1_013587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013587. Following Lipinski's Rule of Five, ChemDiv1_013587 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013587?
The CAS number of ChemDiv1_013587 is 422292-67-9.
What is the molecular formula of ChemDiv1_013587?
The molecular formula of ChemDiv1_013587 is C30H32N4O4S.
What is the molecular weight of ChemDiv1_013587?
The molecular weight of ChemDiv1_013587 is 544.21 g/mol.
Where can I buy ChemDiv1_013587?
You can request a quote for ChemDiv1_013587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013587?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.