ChemDiv1_003394
TL;DR: ChemDiv1_003394 (CAS 314039-84-4) is a chemical compound with molecular formula C28H25ClN2O3S and molecular weight 504.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-6-nitro-1-benzothiophen-2-yl)-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]methanone
Also Known As: ChemDiv1_003394, (3-chloro-6-nitro-1-benzothiophen-2-yl)[2,2,4-trimethyl-4-(4-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]methanone, (3-chloro-6-nitro-1-benzothiophen-2-yl)-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]methanone, (3-chloro-6-nitrobenzo[b]thiophen-2-yl)(2,2,4-trimethyl-4-(p-tolyl)-3,4-dihydroquinolin-1(2H)-yl)methanone, 1-(3-CHLORO-6-NITRO-1-BENZOTHIOPHENE-2-CARBONYL)-2,2,4-TRIMETHYL-4-(4-METHYLPHENYL)-1,2,3,4-TETRAHYDROQUINOLINE
| Molecular Formula | C28H25ClN2O3S |
|---|---|
| Molecular Weight | 504.13 g/mol |
| LogP | 7.90642 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.12744 |
| Heavy Atoms | 35 |
| Complexity | 1492.1222 |
Chemical Identifiers
| CAS Number | 314039-84-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2(CC(N(C3=CC=CC=C32)C(=O)C4=C(C5=C(S4)C=C(C=C5)[N+](=O)[O-])Cl)(C)C)C |
Product Overview
ChemDiv1_003394 (CAS 314039-84-4), with molecular formula C28H25ClN2O3S and molecular weight 504.13 g/mol. IUPAC: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]methanone.
Chemical Property Profile of ChemDiv1_003394
Property Insights of ChemDiv1_003394
The XLogP value of 7.90642 indicates that ChemDiv1_003394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003394. Following Lipinski's Rule of Five, ChemDiv1_003394 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003394?
The CAS number of ChemDiv1_003394 is 314039-84-4.
What is the molecular formula of ChemDiv1_003394?
The molecular formula of ChemDiv1_003394 is C28H25ClN2O3S.
What is the molecular weight of ChemDiv1_003394?
The molecular weight of ChemDiv1_003394 is 504.13 g/mol.
Where can I buy ChemDiv1_003394?
You can request a quote for ChemDiv1_003394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003394?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.