A4000/0170488
TL;DR: A4000/0170488 (CAS 848728-13-2) is a chemical compound with molecular formula C19H15ClF3N3O3S and molecular weight 457.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(7,8-dimethoxyphthalazin-1-yl)sulfanylacetamide
Also Known As: A4000/0170488, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(7,8-dimethoxyphthalazin-1-yl)sulfanyl]acetamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((7,8-dimethoxyphthalazin-1-yl)thio)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(7,8-dimethoxyphthalazin-1-yl)sulfanylacetamide, N~1~-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-2-[(7,8-DIMETHOXY-1-PHTHALAZINYL)SULFANYL]ACETAMIDE
| Molecular Formula | C19H15ClF3N3O3S |
|---|---|
| Molecular Weight | 457.05 g/mol |
| LogP | 5.05 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.0475 |
| Heavy Atoms | 30 |
| Complexity | 1095.7882 |
Chemical Identifiers
| CAS Number | 848728-13-2 |
|---|---|
| SMILES | COC1=C(C2=C(N=NC=C2C=C1)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)OC |
Product Overview
A4000/0170488 (CAS 848728-13-2), with molecular formula C19H15ClF3N3O3S and molecular weight 457.05 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(7,8-dimethoxyphthalazin-1-yl)sulfanylacetamide.
Chemical Property Profile of A4000/0170488
Property Insights of A4000/0170488
The XLogP value of 5.05 indicates that A4000/0170488 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for A4000/0170488. Following Lipinski's Rule of Five, A4000/0170488 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4000/0170488?
The CAS number of A4000/0170488 is 848728-13-2.
What is the molecular formula of A4000/0170488?
The molecular formula of A4000/0170488 is C19H15ClF3N3O3S.
What is the molecular weight of A4000/0170488?
The molecular weight of A4000/0170488 is 457.05 g/mol.
Where can I buy A4000/0170488?
You can request a quote for A4000/0170488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4000/0170488?
Yes, KEHONG BIO provides custom synthesis services for A4000/0170488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.