ChemDiv1_002040
TL;DR: ChemDiv1_002040 (CAS 313385-78-3) is a chemical compound with molecular formula C27H23BrN4O2S and molecular weight 546.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]quinoline-4-carboxamide
Also Known As: ChemDiv1_002040, 2-(4-bromophenyl)-N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]quinoline-4-carboxamide, (5-{[2-(4-bromophenyl)(4-quinolyl)]carbonylamino}-4-cyano-3-methyl(2-thienyl)) -N,N-diethylcarboxamide, 2-(4-bromophenyl)-N-{3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}-4-quinolinecarboxamide
| Molecular Formula | C27H23BrN4O2S |
|---|---|
| Molecular Weight | 546.07 g/mol |
| LogP | 6.6402 |
| Topological Polar Surface Area | 86.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 546.0725 |
| Heavy Atoms | 35 |
| Complexity | 1467.3107 |
Chemical Identifiers
| CAS Number | 313385-78-3 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C#N)C |
Product Overview
ChemDiv1_002040 (CAS 313385-78-3), with molecular formula C27H23BrN4O2S and molecular weight 546.07 g/mol. IUPAC: 2-(4-bromophenyl)-N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]quinoline-4-carboxamide.
Chemical Property Profile of ChemDiv1_002040
Property Insights of ChemDiv1_002040
The XLogP value of 6.6402 indicates that ChemDiv1_002040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002040. Following Lipinski's Rule of Five, ChemDiv1_002040 has 1 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_002040?
The CAS number of ChemDiv1_002040 is 313385-78-3.
What is the molecular formula of ChemDiv1_002040?
The molecular formula of ChemDiv1_002040 is C27H23BrN4O2S.
What is the molecular weight of ChemDiv1_002040?
The molecular weight of ChemDiv1_002040 is 546.07 g/mol.
Where can I buy ChemDiv1_002040?
You can request a quote for ChemDiv1_002040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002040?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.