ChemDiv1_017166
TL;DR: ChemDiv1_017166 (CAS 434294-46-9) is a chemical compound with molecular formula C22H18N4O3S2 and molecular weight 450.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N-(4-nitrophenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Also Known As: ChemDiv1_017166, 3-amino-N-(4-nitrophenyl)-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide, 3-AMINO-N-(4-NITROPHENYL)-4-(THIOPHEN-2-YL)-5H,6H,7H,8H-THIENO[2,3-B]QUINOLINE-2-CARBOXAMIDE, F1154-0362, 3-amino-N-(4-nitrophenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
| Molecular Formula | C22H18N4O3S2 |
|---|---|
| Molecular Weight | 450.08 g/mol |
| LogP | 5.6463 |
| Topological Polar Surface Area | 111.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.08203 |
| Heavy Atoms | 31 |
| Complexity | 1311.2831 |
Chemical Identifiers
| CAS Number | 434294-46-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C3C(=C(SC3=N2)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])N)C5=CC=CS5 |
Product Overview
ChemDiv1_017166 (CAS 434294-46-9), with molecular formula C22H18N4O3S2 and molecular weight 450.08 g/mol. IUPAC: 3-amino-N-(4-nitrophenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
Chemical Property Profile of ChemDiv1_017166
Property Insights of ChemDiv1_017166
The XLogP value of 5.6463 indicates that ChemDiv1_017166 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017166. Following Lipinski's Rule of Five, ChemDiv1_017166 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_017166?
The CAS number of ChemDiv1_017166 is 434294-46-9.
What is the molecular formula of ChemDiv1_017166?
The molecular formula of ChemDiv1_017166 is C22H18N4O3S2.
What is the molecular weight of ChemDiv1_017166?
The molecular weight of ChemDiv1_017166 is 450.08 g/mol.
Where can I buy ChemDiv1_017166?
You can request a quote for ChemDiv1_017166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017166?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.