ChemDiv3_007346
TL;DR: ChemDiv3_007346 (CAS 500149-31-5) is a chemical compound with molecular formula C21H23N3O4S2 and molecular weight 445.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
Also Known As: ChemDiv3_007346, IDI1_025256, BRD-A99757346-001-01-5, N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[(3-methylpiperidin-1-yl)sulfonyl]benzamide, F1122-0010
| Molecular Formula | C21H23N3O4S2 |
|---|---|
| Molecular Weight | 445.11 g/mol |
| LogP | 3.9778 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.113 |
| Heavy Atoms | 30 |
| Complexity | 1172.6846 |
Chemical Identifiers
| CAS Number | 500149-31-5 |
|---|---|
| SMILES | CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(C=CC=C4S3)OC |
Product Overview
ChemDiv3_007346 (CAS 500149-31-5), with molecular formula C21H23N3O4S2 and molecular weight 445.11 g/mol. IUPAC: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide.
Chemical Property Profile of ChemDiv3_007346
Property Insights of ChemDiv3_007346
The XLogP value of 3.9778 indicates that ChemDiv3_007346 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_007346. Following Lipinski's Rule of Five, ChemDiv3_007346 has 1 hydrogen bond donor(s) and 6 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_007346?
The CAS number of ChemDiv3_007346 is 500149-31-5.
What is the molecular formula of ChemDiv3_007346?
The molecular formula of ChemDiv3_007346 is C21H23N3O4S2.
What is the molecular weight of ChemDiv3_007346?
The molecular weight of ChemDiv3_007346 is 445.11 g/mol.
Where can I buy ChemDiv3_007346?
You can request a quote for ChemDiv3_007346 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007346?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007346 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.