ChemDiv2_003858
TL;DR: ChemDiv2_003858 (CAS 315247-87-1) is a chemical compound with molecular formula C22H18N2O4S2 and molecular weight 438.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxy-3-phenothiazin-10-ylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: ChemDiv2_003858, IDI1_002573, BAS 02753066, AF-399/15128154, 2-(2-hydroxy-3-phenothiazin-10-ylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one
| Molecular Formula | C22H18N2O4S2 |
|---|---|
| Molecular Weight | 438.07 g/mol |
| LogP | 3.4949 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.0708 |
| Heavy Atoms | 30 |
| Complexity | 1213.7522 |
Chemical Identifiers
| CAS Number | 315247-87-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(CN3C4=CC=CC=C4SC5=CC=CC=C53)O |
Product Overview
ChemDiv2_003858 (CAS 315247-87-1), with molecular formula C22H18N2O4S2 and molecular weight 438.07 g/mol. IUPAC: 2-(2-hydroxy-3-phenothiazin-10-ylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of ChemDiv2_003858
Property Insights of ChemDiv2_003858
The XLogP value of 3.4949 indicates that ChemDiv2_003858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003858. Following Lipinski's Rule of Five, ChemDiv2_003858 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 ChemDiv2_003858?
The CAS number of ChemDiv2_003858 is 315247-87-1.
What is the molecular formula of ChemDiv2_003858?
The molecular formula of ChemDiv2_003858 is C22H18N2O4S2.
What is the molecular weight of ChemDiv2_003858?
The molecular weight of ChemDiv2_003858 is 438.07 g/mol.
Where can I buy ChemDiv2_003858?
You can request a quote for ChemDiv2_003858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003858?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.