ChemDiv1_013192
TL;DR: ChemDiv1_013192 (CAS 451465-34-2) is a chemical compound with molecular formula C28H28N4O6S and molecular weight 548.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[3-[4-(furan-2-ylmethylamino)-4-oxobutyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate
Also Known As: ChemDiv1_013192, ethyl 4-(2-{[3-(3-{[(furan-2-yl)methyl]carbamoyl}propyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate, F0916-5159, ethyl 4-[[2-[3-[4-(furan-2-ylmethylamino)-4-oxobutyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate, ethyl 4-({[(3-{4-[(2-furylmethyl)amino]-4-oxobutyl}-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetyl}amino)benzoate
| Molecular Formula | C28H28N4O6S |
|---|---|
| Molecular Weight | 548.17 g/mol |
| LogP | 3.9936 |
| Topological Polar Surface Area | 132.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 548.173 |
| Heavy Atoms | 39 |
| Complexity | 1499.0242 |
Chemical Identifiers
| CAS Number | 451465-34-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CO4 |
Product Overview
ChemDiv1_013192 (CAS 451465-34-2), with molecular formula C28H28N4O6S and molecular weight 548.17 g/mol. IUPAC: ethyl 4-[[2-[3-[4-(furan-2-ylmethylamino)-4-oxobutyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of ChemDiv1_013192
Property Insights of ChemDiv1_013192
The XLogP value of 3.9936 indicates that ChemDiv1_013192 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013192. Following Lipinski's Rule of Five, ChemDiv1_013192 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013192?
The CAS number of ChemDiv1_013192 is 451465-34-2.
What is the molecular formula of ChemDiv1_013192?
The molecular formula of ChemDiv1_013192 is C28H28N4O6S.
What is the molecular weight of ChemDiv1_013192?
The molecular weight of ChemDiv1_013192 is 548.17 g/mol.
Where can I buy ChemDiv1_013192?
You can request a quote for ChemDiv1_013192 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013192?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013192 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.