ChemDiv3_005170
TL;DR: ChemDiv3_005170 (CAS 586987-77-1) is a chemical compound with molecular formula C23H20N2O3S2 and molecular weight 436.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylphenyl)sulfonylacetamide
Also Known As: ChemDiv3_005170, CBKinase1_002621, CBKinase1_015021, IDI1_023080, N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonyl]acetamide
| Molecular Formula | C23H20N2O3S2 |
|---|---|
| Molecular Weight | 436.09 g/mol |
| LogP | 4.99254 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.09152 |
| Heavy Atoms | 30 |
| Complexity | 1323.3983 |
Chemical Identifiers
| CAS Number | 586987-77-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C |
Product Overview
ChemDiv3_005170 (CAS 586987-77-1), with molecular formula C23H20N2O3S2 and molecular weight 436.09 g/mol. IUPAC: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylphenyl)sulfonylacetamide.
Chemical Property Profile of ChemDiv3_005170
Property Insights of ChemDiv3_005170
The XLogP value of 4.99254 indicates that ChemDiv3_005170 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005170. Following Lipinski's Rule of Five, ChemDiv3_005170 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_005170?
The CAS number of ChemDiv3_005170 is 586987-77-1.
What is the molecular formula of ChemDiv3_005170?
The molecular formula of ChemDiv3_005170 is C23H20N2O3S2.
What is the molecular weight of ChemDiv3_005170?
The molecular weight of ChemDiv3_005170 is 436.09 g/mol.
Where can I buy ChemDiv3_005170?
You can request a quote for ChemDiv3_005170 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005170?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005170 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.