ChemDiv1_014407
TL;DR: ChemDiv1_014407 (CAS 688356-39-0) is a chemical compound with molecular formula C25H26N4O4S and molecular weight 478.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)butanamide
Also Known As: ChemDiv1_014407, F6548-4731, 2-({4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl}sulfanyl)-N-[(furan-2-yl)methyl]butanamide, 2-((4-((3,5-dimethoxyphenyl)amino)quinazolin-2-yl)thio)-N-(furan-2-ylmethyl)butanamide, 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)butanamide
| Molecular Formula | C25H26N4O4S |
|---|---|
| Molecular Weight | 478.17 g/mol |
| LogP | 5.1707 |
| Topological Polar Surface Area | 98.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 478.16748 |
| Heavy Atoms | 34 |
| Complexity | 1241.0079 |
Chemical Identifiers
| CAS Number | 688356-39-0 |
|---|---|
| SMILES | CCC(C(=O)NCC1=CC=CO1)SC2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC(=C4)OC)OC |
Product Overview
ChemDiv1_014407 (CAS 688356-39-0), with molecular formula C25H26N4O4S and molecular weight 478.17 g/mol. IUPAC: 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)butanamide.
Chemical Property Profile of ChemDiv1_014407
Property Insights of ChemDiv1_014407
The XLogP value of 5.1707 indicates that ChemDiv1_014407 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.51 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014407. Following Lipinski's Rule of Five, ChemDiv1_014407 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_014407?
The CAS number of ChemDiv1_014407 is 688356-39-0.
What is the molecular formula of ChemDiv1_014407?
The molecular formula of ChemDiv1_014407 is C25H26N4O4S.
What is the molecular weight of ChemDiv1_014407?
The molecular weight of ChemDiv1_014407 is 478.17 g/mol.
Where can I buy ChemDiv1_014407?
You can request a quote for ChemDiv1_014407 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014407?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014407 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.