ChemDiv1_000319
TL;DR: ChemDiv1_000319 (CAS 315247-88-2) is a chemical compound with molecular formula C20H20N2O4S and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2,3-dimethylindol-1-yl)-2-hydroxypropyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: ChemDiv1_000319, BAS 02753067, F1021-0174, AF-399/15128155, 2-(3-(2,3-dimethyl-1H-indol-1-yl)-2-hydroxypropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide
| Molecular Formula | C20H20N2O4S |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 2.46374 |
| Topological Polar Surface Area | 79.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.11438 |
| Heavy Atoms | 27 |
| Complexity | 1163.9385 |
Chemical Identifiers
| CAS Number | 315247-88-2 |
|---|---|
| SMILES | CC1=C(N(C2=CC=CC=C12)CC(CN3C(=O)C4=CC=CC=C4S3(=O)=O)O)C |
Product Overview
ChemDiv1_000319 (CAS 315247-88-2), with molecular formula C20H20N2O4S and molecular weight 384.11 g/mol. IUPAC: 2-[3-(2,3-dimethylindol-1-yl)-2-hydroxypropyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of ChemDiv1_000319
Property Insights of ChemDiv1_000319
The XLogP value of 2.46374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_000319. The TPSA of 79.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000319. Following Lipinski's Rule of Five, ChemDiv1_000319 has 1 hydrogen bond donor(s) and 4 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_000319?
The CAS number of ChemDiv1_000319 is 315247-88-2.
What is the molecular formula of ChemDiv1_000319?
The molecular formula of ChemDiv1_000319 is C20H20N2O4S.
What is the molecular weight of ChemDiv1_000319?
The molecular weight of ChemDiv1_000319 is 384.11 g/mol.
Where can I buy ChemDiv1_000319?
You can request a quote for ChemDiv1_000319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000319?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.