ChemDiv1_018897
TL;DR: ChemDiv1_018897 (CAS 439792-34-4) is a chemical compound with molecular formula C28H34N4O5S and molecular weight 538.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
Also Known As: ChemDiv1_018897, DivK1c_003681, CDS1_002641, 4-({2-[({[(furan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide, F3407-3957
| Molecular Formula | C28H34N4O5S |
|---|---|
| Molecular Weight | 538.23 g/mol |
| LogP | 3.4996 |
| Topological Polar Surface Area | 115.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 538.225 |
| Heavy Atoms | 38 |
| Complexity | 1294.3163 |
Chemical Identifiers
| CAS Number | 439792-34-4 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCC5=CC=CO5 |
Product Overview
ChemDiv1_018897 (CAS 439792-34-4), with molecular formula C28H34N4O5S and molecular weight 538.23 g/mol. IUPAC: 4-[[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
Chemical Property Profile of ChemDiv1_018897
Property Insights of ChemDiv1_018897
The XLogP value of 3.4996 indicates that ChemDiv1_018897 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018897. Following Lipinski's Rule of Five, ChemDiv1_018897 has 2 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_018897?
The CAS number of ChemDiv1_018897 is 439792-34-4.
What is the molecular formula of ChemDiv1_018897?
The molecular formula of ChemDiv1_018897 is C28H34N4O5S.
What is the molecular weight of ChemDiv1_018897?
The molecular weight of ChemDiv1_018897 is 538.23 g/mol.
Where can I buy ChemDiv1_018897?
You can request a quote for ChemDiv1_018897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018897?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.