F0913-4139
TL;DR: F0913-4139 (CAS 450372-06-2) is a chemical compound with molecular formula C26H19BrN2O6S and molecular weight 566.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate
Also Known As: F0913-4139, methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate, methyl 3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-oxo-3,4-dihydroquinazoline-7-carboxylate, methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate
| Molecular Formula | C26H19BrN2O6S |
|---|---|
| Molecular Weight | 566.01 g/mol |
| LogP | 4.6976 |
| Topological Polar Surface Area | 96.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 566.0147 |
| Heavy Atoms | 36 |
| Complexity | 1551.1051 |
Chemical Identifiers
| CAS Number | 450372-06-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)Br)CC4=CC5=C(C=C4)OCO5 |
Product Overview
F0913-4139 (CAS 450372-06-2), with molecular formula C26H19BrN2O6S and molecular weight 566.01 g/mol. IUPAC: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate.
Chemical Property Profile of F0913-4139
Property Insights of F0913-4139
The XLogP value of 4.6976 indicates that F0913-4139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.72 Ų falls within the moderate polarity range, balancing permeability and solubility for F0913-4139. Following Lipinski's Rule of Five, F0913-4139 has 0 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 F0913-4139?
The CAS number of F0913-4139 is 450372-06-2.
What is the molecular formula of F0913-4139?
The molecular formula of F0913-4139 is C26H19BrN2O6S.
What is the molecular weight of F0913-4139?
The molecular weight of F0913-4139 is 566.01 g/mol.
Where can I buy F0913-4139?
You can request a quote for F0913-4139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0913-4139?
Yes, KEHONG BIO provides custom synthesis services for F0913-4139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.