ChemDiv1_013878
TL;DR: ChemDiv1_013878 (CAS 451467-06-4) is a chemical compound with molecular formula C25H19N3O6S and molecular weight 489.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,3-bis(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: ChemDiv1_013878, F0916-6382, N,3-bis(benzo[d][1,3]dioxol-5-ylmethyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide, N,3-bis(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide, N,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
| Molecular Formula | C25H19N3O6S |
|---|---|
| Molecular Weight | 489.10 g/mol |
| LogP | 3.49479 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.09946 |
| Heavy Atoms | 35 |
| Complexity | 1609.6106 |
Chemical Identifiers
| CAS Number | 451467-06-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6 |
Product Overview
ChemDiv1_013878 (CAS 451467-06-4), with molecular formula C25H19N3O6S and molecular weight 489.10 g/mol. IUPAC: N,3-bis(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of ChemDiv1_013878
Property Insights of ChemDiv1_013878
The XLogP value of 3.49479 indicates that ChemDiv1_013878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013878. Following Lipinski's Rule of Five, ChemDiv1_013878 has 2 hydrogen bond donor(s) and 7 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 ChemDiv1_013878?
The CAS number of ChemDiv1_013878 is 451467-06-4.
What is the molecular formula of ChemDiv1_013878?
The molecular formula of ChemDiv1_013878 is C25H19N3O6S.
What is the molecular weight of ChemDiv1_013878?
The molecular weight of ChemDiv1_013878 is 489.10 g/mol.
Where can I buy ChemDiv1_013878?
You can request a quote for ChemDiv1_013878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013878?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.