ChemDiv1_005473
TL;DR: ChemDiv1_005473 (CAS 389078-40-4) is a chemical compound with molecular formula C22H19ClN4O3S2 and molecular weight 486.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-6-methyl-1-benzothiophene-2-carboxamide
Also Known As: ChemDiv1_005473, AB00309959-02, 3-chloro-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-6-methyl-1-benzothiophene-2-carboxamide, 3-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-6-methyl-1-benzothiophene-2-carboxamide
| Molecular Formula | C22H19ClN4O3S2 |
|---|---|
| Molecular Weight | 486.06 g/mol |
| LogP | 5.32306 |
| Topological Polar Surface Area | 101.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.05872 |
| Heavy Atoms | 32 |
| Complexity | 1428.065 |
Chemical Identifiers
| CAS Number | 389078-40-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC(=NC(=C4)C)C)Cl |
Product Overview
ChemDiv1_005473 (CAS 389078-40-4), with molecular formula C22H19ClN4O3S2 and molecular weight 486.06 g/mol. IUPAC: 3-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-6-methyl-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ChemDiv1_005473
Property Insights of ChemDiv1_005473
The XLogP value of 5.32306 indicates that ChemDiv1_005473 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005473. Following Lipinski's Rule of Five, ChemDiv1_005473 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005473?
The CAS number of ChemDiv1_005473 is 389078-40-4.
What is the molecular formula of ChemDiv1_005473?
The molecular formula of ChemDiv1_005473 is C22H19ClN4O3S2.
What is the molecular weight of ChemDiv1_005473?
The molecular weight of ChemDiv1_005473 is 486.06 g/mol.
Where can I buy ChemDiv1_005473?
You can request a quote for ChemDiv1_005473 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005473?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005473 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.