RefChem:463136
TL;DR: RefChem:463136 (CAS 476483-82-6) is a chemical compound with molecular formula C22H19ClN4O3S and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-chloro-2-nitrophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-Amino-1-(4-chloro-2-nitrophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-1-(4-CHLORO-2-NITROPHENYL)-4-(2,5-DIMETHYL-3-THIENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-1-(4-chloro-2-nitrophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 647-814-8, RefChem:463136
| Molecular Formula | C22H19ClN4O3S |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 5.23132 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.08664 |
| Heavy Atoms | 31 |
| Complexity | 1237.8661 |
Chemical Identifiers
| CAS Number | 476483-82-6 |
|---|---|
| SMILES | CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])N)C#N |
Product Overview
RefChem:463136 (CAS 476483-82-6), with molecular formula C22H19ClN4O3S and molecular weight 454.09 g/mol. IUPAC: 2-amino-1-(4-chloro-2-nitrophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463136
Property Insights of RefChem:463136
The XLogP value of 5.23132 indicates that RefChem:463136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.26 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:463136. Following Lipinski's Rule of Five, RefChem:463136 has 1 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 RefChem:463136?
The CAS number of RefChem:463136 is 476483-82-6.
What is the molecular formula of RefChem:463136?
The molecular formula of RefChem:463136 is C22H19ClN4O3S.
What is the molecular weight of RefChem:463136?
The molecular weight of RefChem:463136 is 454.09 g/mol.
Where can I buy RefChem:463136?
You can request a quote for RefChem:463136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463136?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.