ChemDiv1_002731
TL;DR: ChemDiv1_002731 (CAS 329905-22-8) is a chemical compound with molecular formula C22H18N4O6S2 and molecular weight 498.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]benzamide
Also Known As: ChemDiv1_002731, F0325-0091, N-(4-METHOXY-6-NITRO-1,3-BENZOTHIAZOL-2-YL)-2-(4-METHYLBENZENESULFONAMIDO)BENZAMIDE, N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]benzamide, N-(4-methoxy-6-nitrobenzo[d]thiazol-2-yl)-2-(4-methylphenylsulfonamido)benzamide
| Molecular Formula | C22H18N4O6S2 |
|---|---|
| Molecular Weight | 498.07 g/mol |
| LogP | 4.57462 |
| Topological Polar Surface Area | 140.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.06677 |
| Heavy Atoms | 34 |
| Complexity | 1514.442 |
Chemical Identifiers
| CAS Number | 329905-22-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=NC4=C(C=C(C=C4S3)[N+](=O)[O-])OC |
Product Overview
ChemDiv1_002731 (CAS 329905-22-8), with molecular formula C22H18N4O6S2 and molecular weight 498.07 g/mol. IUPAC: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]benzamide.
Chemical Property Profile of ChemDiv1_002731
Property Insights of ChemDiv1_002731
The XLogP value of 4.57462 indicates that ChemDiv1_002731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.53 Ų indicates high polarity, suggesting ChemDiv1_002731 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_002731 has 2 hydrogen bond donor(s) and 8 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 ChemDiv1_002731?
The CAS number of ChemDiv1_002731 is 329905-22-8.
What is the molecular formula of ChemDiv1_002731?
The molecular formula of ChemDiv1_002731 is C22H18N4O6S2.
What is the molecular weight of ChemDiv1_002731?
The molecular weight of ChemDiv1_002731 is 498.07 g/mol.
Where can I buy ChemDiv1_002731?
You can request a quote for ChemDiv1_002731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002731?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.