J3.459.188A
TL;DR: J3.459.188A (CAS 685845-90-3) is a chemical compound with molecular formula C18H17ClN4O2S and molecular weight 388.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide
Also Known As: J3.459.188A, AP-906/42086948, N-(4-chloro-2-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide, N-(4-chloro-2-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamide, N-(2-Methyl-4-chlorophenyl)(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]-1,2,3-triazine-3-yl)acetamide
| Molecular Formula | C18H17ClN4O2S |
|---|---|
| Molecular Weight | 388.08 g/mol |
| LogP | 3.33232 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.07608 |
| Heavy Atoms | 26 |
| Complexity | 1072.9738 |
Chemical Identifiers
| CAS Number | 685845-90-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=O)CN2C(=O)C3=C(N=N2)SC4=C3CCCC4 |
Product Overview
J3.459.188A (CAS 685845-90-3), with molecular formula C18H17ClN4O2S and molecular weight 388.08 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide.
Chemical Property Profile of J3.459.188A
Property Insights of J3.459.188A
The XLogP value of 3.33232 indicates that J3.459.188A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.459.188A. Following Lipinski's Rule of Five, J3.459.188A has 1 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 J3.459.188A?
The CAS number of J3.459.188A is 685845-90-3.
What is the molecular formula of J3.459.188A?
The molecular formula of J3.459.188A is C18H17ClN4O2S.
What is the molecular weight of J3.459.188A?
The molecular weight of J3.459.188A is 388.08 g/mol.
Where can I buy J3.459.188A?
You can request a quote for J3.459.188A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.459.188A?
Yes, KEHONG BIO provides custom synthesis services for J3.459.188A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.