ChemDiv1_013148
TL;DR: ChemDiv1_013148 (CAS 451465-33-1) is a chemical compound with molecular formula C27H29N5O6S2 and molecular weight 583.16 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-[2-(4-sulfamoylphenyl)ethylamino]ethyl]sulfanylquinazolin-3-yl]butanamide
Also Known As: ChemDiv1_013148, F0916-5158, N-[(furan-2-yl)methyl]-4-{4-oxo-2-[({[2-(4-sulfamoylphenyl)ethyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}butanamide, N-(furan-2-ylmethyl)-4-(4-oxo-2-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)thio)quinazolin-3(4H)-yl)butanamide, N-(furan-2-ylmethyl)-4-[4-oxo-2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]sulfanylquinazolin-3-yl]butanamide
| Molecular Formula | C27H29N5O6S2 |
|---|---|
| Molecular Weight | 583.16 g/mol |
| LogP | 2.1845 |
| Topological Polar Surface Area | 166.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 583.15594 |
| Heavy Atoms | 40 |
| Complexity | 1634.454 |
Chemical Identifiers
| CAS Number | 451465-33-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)CCCC(=O)NCC4=CC=CO4 |
Product Overview
ChemDiv1_013148 (CAS 451465-33-1), with molecular formula C27H29N5O6S2 and molecular weight 583.16 g/mol. IUPAC: N-(furan-2-ylmethyl)-4-[4-oxo-2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]sulfanylquinazolin-3-yl]butanamide.
Chemical Property Profile of ChemDiv1_013148
Property Insights of ChemDiv1_013148
The XLogP value of 2.1845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_013148. The TPSA of 166.39 Ų indicates high polarity, suggesting ChemDiv1_013148 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_013148 has 3 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_013148?
The CAS number of ChemDiv1_013148 is 451465-33-1.
What is the molecular formula of ChemDiv1_013148?
The molecular formula of ChemDiv1_013148 is C27H29N5O6S2.
What is the molecular weight of ChemDiv1_013148?
The molecular weight of ChemDiv1_013148 is 583.16 g/mol.
Where can I buy ChemDiv1_013148?
You can request a quote for ChemDiv1_013148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013148?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.