ChemDiv3_007030
TL;DR: ChemDiv3_007030 (CAS 791805-05-5) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-1-pyrrolidin-1-ylpropan-1-one
Also Known As: ChemDiv3_007030, IDI1_024940, 2-(1,1-dioxido-2H-naphtho[1,8-cd][1,2]thiazol-2-yl)-1-(pyrrolidin-1-yl)propan-1-one, 2-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)-1-(pyrrolidin-1-yl)propan-1-one, 2-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
| Molecular Formula | C17H18N2O3S |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 2.3594 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.10382 |
| Heavy Atoms | 23 |
| Complexity | 895.94446 |
Chemical Identifiers
| CAS Number | 791805-05-5 |
|---|---|
| SMILES | CC(C(=O)N1CCCC1)N2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O |
Product Overview
ChemDiv3_007030 (CAS 791805-05-5), with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol. IUPAC: 2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-1-pyrrolidin-1-ylpropan-1-one.
Chemical Property Profile of ChemDiv3_007030
Property Insights of ChemDiv3_007030
The XLogP value of 2.3594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_007030. With a topological polar surface area (TPSA) of 57.69 Ų, ChemDiv3_007030 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_007030 has 0 hydrogen bond donor(s) and 3 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_007030?
The CAS number of ChemDiv3_007030 is 791805-05-5.
What is the molecular formula of ChemDiv3_007030?
The molecular formula of ChemDiv3_007030 is C17H18N2O3S.
What is the molecular weight of ChemDiv3_007030?
The molecular weight of ChemDiv3_007030 is 330.10 g/mol.
Where can I buy ChemDiv3_007030?
You can request a quote for ChemDiv3_007030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007030?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.