RefChem:322821
TL;DR: RefChem:322821 (CAS 87540-50-9) is a chemical compound with molecular formula C19H18ClN5O and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(7-ethoxy-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N,N-dimethylaniline
Also Known As: 3-(2-Chloro-4-(dimethylamino)phenyl)-6-ethoxy-1,2,4-triazolo(3,4-a)phthalazine, 1,2,4-Triazolo(3,4-a)phthalazine, 3-(2-chloro-4-(dimethylamino)phenyl)-6-ethoxy-, 3-chloro-4-(7-ethoxy-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N,N-dimethylaniline, Benzenamine, 3-chloro-4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-N,N-dimethyl-, 1,2,4-Triazolo(3,4-a)phthalazine,6-ethoxy-3-(3-methoxy-4-(pentyloxy)phenyl)
| Molecular Formula | C19H18ClN5O |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.12 |
| Heavy Atoms | 26 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 87540-50-9 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1C=NN3C2=NN=C3C4=C(C=C(C=C4)N(C)C)Cl |
| InChIKey | GVTMLVOAPRDWPY-UHFFFAOYSA-N |
Product Overview
RefChem:322821 (CAS 87540-50-9), with molecular formula C19H18ClN5O and molecular weight 367.12 g/mol. IUPAC: 3-chloro-4-(7-ethoxy-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N,N-dimethylaniline.
Chemical Property Profile of RefChem:322821
Property Insights of RefChem:322821
The XLogP value of 3.7 indicates that RefChem:322821 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, RefChem:322821 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322821 has 0 hydrogen bond donor(s) and 5 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 RefChem:322821?
The CAS number of RefChem:322821 is 87540-50-9.
What is the molecular formula of RefChem:322821?
The molecular formula of RefChem:322821 is C19H18ClN5O.
What is the molecular weight of RefChem:322821?
The molecular weight of RefChem:322821 is 367.12 g/mol.
Where can I buy RefChem:322821?
You can request a quote for RefChem:322821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322821?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.