ChemDiv1_010059
TL;DR: ChemDiv1_010059 (CAS 314039-83-3) is a chemical compound with molecular formula C22H21ClN2O4S and molecular weight 444.09 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)-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone
Also Known As: ChemDiv1_010059, DivK1c_005805, CDS1_004765, BIM-0036668.P001, (3-chloro-6-nitro-1-benzothiophen-2-yl)-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone
| Molecular Formula | C22H21ClN2O4S |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | 6.4041 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.09106 |
| Heavy Atoms | 30 |
| Complexity | 1187.3394 |
Chemical Identifiers
| CAS Number | 314039-83-3 |
|---|---|
| SMILES | CC1CC(N(C2=C1C=C(C=C2)OC)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)(C)C |
Product Overview
ChemDiv1_010059 (CAS 314039-83-3), with molecular formula C22H21ClN2O4S and molecular weight 444.09 g/mol. IUPAC: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone.
Chemical Property Profile of ChemDiv1_010059
Property Insights of ChemDiv1_010059
The XLogP value of 6.4041 indicates that ChemDiv1_010059 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010059. Following Lipinski's Rule of Five, ChemDiv1_010059 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010059?
The CAS number of ChemDiv1_010059 is 314039-83-3.
What is the molecular formula of ChemDiv1_010059?
The molecular formula of ChemDiv1_010059 is C22H21ClN2O4S.
What is the molecular weight of ChemDiv1_010059?
The molecular weight of ChemDiv1_010059 is 444.09 g/mol.
Where can I buy ChemDiv1_010059?
You can request a quote for ChemDiv1_010059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010059?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.