ChemDiv3_012680
TL;DR: ChemDiv3_012680 (CAS 422533-82-2) is a chemical compound with molecular formula C25H21FN4O3S and molecular weight 476.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylbutanamide
Also Known As: ChemDiv3_012680, BRD-A72138273-001-01-6, N-(2H-1,3-benzodioxol-5-yl)-2-({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)butanamide, F6548-4618, N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylbutanamide
| Molecular Formula | C25H21FN4O3S |
|---|---|
| Molecular Weight | 476.13 g/mol |
| LogP | 5.7506 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.13184 |
| Heavy Atoms | 34 |
| Complexity | 1350.0798 |
Chemical Identifiers
| CAS Number | 422533-82-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC5=CC=C(C=C5)F |
Product Overview
ChemDiv3_012680 (CAS 422533-82-2), with molecular formula C25H21FN4O3S and molecular weight 476.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylbutanamide.
Chemical Property Profile of ChemDiv3_012680
Property Insights of ChemDiv3_012680
The XLogP value of 5.7506 indicates that ChemDiv3_012680 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012680. Following Lipinski's Rule of Five, ChemDiv3_012680 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 ChemDiv3_012680?
The CAS number of ChemDiv3_012680 is 422533-82-2.
What is the molecular formula of ChemDiv3_012680?
The molecular formula of ChemDiv3_012680 is C25H21FN4O3S.
What is the molecular weight of ChemDiv3_012680?
The molecular weight of ChemDiv3_012680 is 476.13 g/mol.
Where can I buy ChemDiv3_012680?
You can request a quote for ChemDiv3_012680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012680?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.