2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one
TL;DR: 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one (CAS 41335-58-4) is a chemical compound with molecular formula C18H13NO3S and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: ChemDiv2_004368, IDI1_003083, BAS 05022014, 2-(naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one, 2-(naphthalen-1-ylmethyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide
| Molecular Formula | C18H13NO3S |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.0616 |
| Heavy Atoms | 23 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 41335-58-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C4=CC=CC=C4S3(=O)=O |
| InChIKey | LOBPVRSJGPRVFC-UHFFFAOYSA-N |
Product Overview
2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one (CAS 41335-58-4), with molecular formula C18H13NO3S and molecular weight 323.06 g/mol. IUPAC: 2-(naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one
Property Insights of 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one
The XLogP value of 3.3 indicates that 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one. Following Lipinski's Rule of Five, 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one 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 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The CAS number of 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one is 41335-58-4.
What is the molecular formula of 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular formula of 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one is C18H13NO3S.
What is the molecular weight of 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular weight of 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one is 323.06 g/mol.
Where can I buy 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one?
You can request a quote for 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Naphthalen-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.