F6548-4638
TL;DR: F6548-4638 (CAS 1037749-66-8) is a chemical compound with molecular formula C21H18N6O3S and molecular weight 434.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Also Known As: F6548-4638, 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-(3-methyl-1H-pyrazol-5-yl)acetamide, 2-((4-(benzo[d][1,3]dioxol-5-ylamino)quinazolin-2-yl)thio)-N-(3-methyl-1H-pyrazol-5-yl)acetamide, 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide, 2-[4-(benzo[1,3]dioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
| Molecular Formula | C21H18N6O3S |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | 3.86442 |
| Topological Polar Surface Area | 114.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.11612 |
| Heavy Atoms | 31 |
| Complexity | 1275.2025 |
Chemical Identifiers
| CAS Number | 1037749-66-8 |
|---|---|
| SMILES | CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)OCO5 |
Product Overview
F6548-4638 (CAS 1037749-66-8), with molecular formula C21H18N6O3S and molecular weight 434.12 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
Chemical Property Profile of F6548-4638
Property Insights of F6548-4638
The XLogP value of 3.86442 indicates that F6548-4638 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.05 Ų falls within the moderate polarity range, balancing permeability and solubility for F6548-4638. Following Lipinski's Rule of Five, F6548-4638 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F6548-4638?
The CAS number of F6548-4638 is 1037749-66-8.
What is the molecular formula of F6548-4638?
The molecular formula of F6548-4638 is C21H18N6O3S.
What is the molecular weight of F6548-4638?
The molecular weight of F6548-4638 is 434.12 g/mol.
Where can I buy F6548-4638?
You can request a quote for F6548-4638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F6548-4638?
Yes, KEHONG BIO provides custom synthesis services for F6548-4638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.