ChemDiv1_013541
TL;DR: ChemDiv1_013541 (CAS 439792-30-0) is a chemical compound with molecular formula C30H36N4O4S and molecular weight 548.25 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-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
Also Known As: ChemDiv1_013541, 4-[(2-{[(benzylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide, F3407-3955, 4-((2-((2-(benzylamino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)methyl)-N-((tetrahydrofuran-2-yl)methyl)cyclohexanecarboxamide, 4-[[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
| Molecular Formula | C30H36N4O4S |
|---|---|
| Molecular Weight | 548.25 g/mol |
| LogP | 3.9066 |
| Topological Polar Surface Area | 102.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 548.2457 |
| Heavy Atoms | 39 |
| Complexity | 1331.7917 |
Chemical Identifiers
| CAS Number | 439792-30-0 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCC5=CC=CC=C5 |
Product Overview
ChemDiv1_013541 (CAS 439792-30-0), with molecular formula C30H36N4O4S and molecular weight 548.25 g/mol. IUPAC: 4-[[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
Chemical Property Profile of ChemDiv1_013541
Property Insights of ChemDiv1_013541
The XLogP value of 3.9066 indicates that ChemDiv1_013541 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013541. Following Lipinski's Rule of Five, ChemDiv1_013541 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_013541?
The CAS number of ChemDiv1_013541 is 439792-30-0.
What is the molecular formula of ChemDiv1_013541?
The molecular formula of ChemDiv1_013541 is C30H36N4O4S.
What is the molecular weight of ChemDiv1_013541?
The molecular weight of ChemDiv1_013541 is 548.25 g/mol.
Where can I buy ChemDiv1_013541?
You can request a quote for ChemDiv1_013541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013541?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.