ChemDiv1_013751
TL;DR: ChemDiv1_013751 (CAS 451467-17-7) is a chemical compound with molecular formula C26H23N3O7S and molecular weight 521.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide
Also Known As: ChemDiv1_013751, F0916-6405, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-oxo-2-thioxo-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide, 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide, 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
| Molecular Formula | C26H23N3O7S |
|---|---|
| Molecular Weight | 521.13 g/mol |
| LogP | 4.11419 |
| Topological Polar Surface Area | 113.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.1257 |
| Heavy Atoms | 37 |
| Complexity | 1619.026 |
Chemical Identifiers
| CAS Number | 451467-17-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
ChemDiv1_013751 (CAS 451467-17-7), with molecular formula C26H23N3O7S and molecular weight 521.13 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide.
Chemical Property Profile of ChemDiv1_013751
Property Insights of ChemDiv1_013751
The XLogP value of 4.11419 indicates that ChemDiv1_013751 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013751. Following Lipinski's Rule of Five, ChemDiv1_013751 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_013751?
The CAS number of ChemDiv1_013751 is 451467-17-7.
What is the molecular formula of ChemDiv1_013751?
The molecular formula of ChemDiv1_013751 is C26H23N3O7S.
What is the molecular weight of ChemDiv1_013751?
The molecular weight of ChemDiv1_013751 is 521.13 g/mol.
Where can I buy ChemDiv1_013751?
You can request a quote for ChemDiv1_013751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013751?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.