Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide
TL;DR: Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide (CAS 89542-47-2) is a chemical compound with molecular formula C18H14BrNS and molecular weight 355.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(naphthalen-1-ylmethyl)-1,3-benzothiazol-3-ium bromide
Also Known As: Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide, 3-(1-naphthylmethyl)-1,3-benzothiazol-3-ium bromide, 3-(naphthalen-1-ylmethyl)-1,3-benzothiazol-3-ium bromide, 3-(naphthalen-1-ylmethyl)-1,3-benzothiazol-3-ium,bromide, 3-(naphthalen-1-ylmethyl)-1,3-benzothiazol-3-ium;bromide
| Molecular Formula | C18H14BrNS |
|---|---|
| Molecular Weight | 355.00 g/mol |
| LogP | 1.3943 |
| Topological Polar Surface Area | 3.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.00302 |
| Heavy Atoms | 21 |
| Complexity | 892.4104 |
Chemical Identifiers
| CAS Number | 89542-47-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C[N+]3=CSC4=CC=CC=C43.[Br-] |
Product Overview
Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide (CAS 89542-47-2), with molecular formula C18H14BrNS and molecular weight 355.00 g/mol. IUPAC: 3-(naphthalen-1-ylmethyl)-1,3-benzothiazol-3-ium bromide.
Chemical Property Profile of Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide
Property Insights of Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide
The XLogP value of 1.3943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide. With a topological polar surface area (TPSA) of 3.88 Ų, Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide has 0 hydrogen bond donor(s) and 1 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 Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide?
The CAS number of Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide is 89542-47-2.
What is the molecular formula of Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide?
The molecular formula of Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide is C18H14BrNS.
What is the molecular weight of Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide?
The molecular weight of Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide is 355.00 g/mol.
Where can I buy Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide?
You can request a quote for Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.