A3984/0169720
TL;DR: A3984/0169720 (CAS 895850-41-6) is a chemical compound with molecular formula C21H23N5O4S and molecular weight 441.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethyl-6-nitrophenyl)-2-(3-oxo-8-thia-4,5,6-triazatricyclo[7.6.0.02,7]pentadeca-1(9),2(7),5-trien-4-yl)acetamide
Also Known As: A3984/0169720, N-(2,4-dimethyl-6-nitrophenyl)-2-(4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamide, N~1~-(2,4-DIMETHYL-6-NITROPHENYL)-2-[4-OXO-5,6,7,8,9,10-HEXAHYDROCYCLOOCTA[4,5]THIENO[2,3-D][1,2,3]TRIAZIN-3(4H)-YL]ACETAMIDE
| Molecular Formula | C21H23N5O4S |
|---|---|
| Molecular Weight | 441.15 g/mol |
| LogP | 3.67574 |
| Topological Polar Surface Area | 120.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.14706 |
| Heavy Atoms | 31 |
| Complexity | 1246.7765 |
Chemical Identifiers
| CAS Number | 895850-41-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CN2C(=O)C3=C(N=N2)SC4=C3CCCCCC4)C |
Product Overview
A3984/0169720 (CAS 895850-41-6), with molecular formula C21H23N5O4S and molecular weight 441.15 g/mol. IUPAC: N-(2,4-dimethyl-6-nitrophenyl)-2-(3-oxo-8-thia-4,5,6-triazatricyclo[7.6.0.02,7]pentadeca-1(9),2(7),5-trien-4-yl)acetamide.
Chemical Property Profile of A3984/0169720
Property Insights of A3984/0169720
The XLogP value of 3.67574 indicates that A3984/0169720 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.02 Ų falls within the moderate polarity range, balancing permeability and solubility for A3984/0169720. Following Lipinski's Rule of Five, A3984/0169720 has 1 hydrogen bond donor(s) and 7 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 A3984/0169720?
The CAS number of A3984/0169720 is 895850-41-6.
What is the molecular formula of A3984/0169720?
The molecular formula of A3984/0169720 is C21H23N5O4S.
What is the molecular weight of A3984/0169720?
The molecular weight of A3984/0169720 is 441.15 g/mol.
Where can I buy A3984/0169720?
You can request a quote for A3984/0169720 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3984/0169720?
Yes, KEHONG BIO provides custom synthesis services for A3984/0169720 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.