A3419/0145086
TL;DR: A3419/0145086 (CAS 696636-75-6) is a chemical compound with molecular formula C28H30ClN3O3S and molecular weight 523.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methoxyphenyl)-2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide
Also Known As: A3419/0145086, N-(3-chloro-4-methoxyphenyl)-2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide, N-(3-chloro-4-methoxyphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide, N-(3-chloro-4-methoxyphenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide, N-(3-CHLORO-4-METHOXYPHENYL)-2-[(3-ETHYL-4-OXO-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOHEXAN]-2-YL)THIO]ACETAMIDE
| Molecular Formula | C28H30ClN3O3S |
|---|---|
| Molecular Weight | 523.17 g/mol |
| LogP | 6.081 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 523.1696 |
| Heavy Atoms | 36 |
| Complexity | 1364.6312 |
Chemical Identifiers
| CAS Number | 696636-75-6 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NC5=CC(=C(C=C5)OC)Cl |
Product Overview
A3419/0145086 (CAS 696636-75-6), with molecular formula C28H30ClN3O3S and molecular weight 523.17 g/mol. IUPAC: N-(3-chloro-4-methoxyphenyl)-2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide.
Chemical Property Profile of A3419/0145086
Property Insights of A3419/0145086
The XLogP value of 6.081 indicates that A3419/0145086 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for A3419/0145086. Following Lipinski's Rule of Five, A3419/0145086 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3419/0145086?
The CAS number of A3419/0145086 is 696636-75-6.
What is the molecular formula of A3419/0145086?
The molecular formula of A3419/0145086 is C28H30ClN3O3S.
What is the molecular weight of A3419/0145086?
The molecular weight of A3419/0145086 is 523.17 g/mol.
Where can I buy A3419/0145086?
You can request a quote for A3419/0145086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3419/0145086?
Yes, KEHONG BIO provides custom synthesis services for A3419/0145086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.