1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate
TL;DR: 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 444149-63-7) is a chemical compound with molecular formula C19H10BrClO2S and molecular weight 415.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-bromonaphthalen-2-yl) 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: 1-bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate, AN-329/40887429, (1-bromonaphthalen-2-yl) 3-chloro-1-benzothiophene-2-carboxylate, 1-bromonaphthalen-2-yl 3-chloro-1-benzothiophene-2-carboxylate, 1-bromo-2-naphthyl 3-chlorobenzo[b]thiophene-2-carboxylate
| Molecular Formula | C19H10BrClO2S |
|---|---|
| Molecular Weight | 415.93 g/mol |
| LogP | 6.6896 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.92734 |
| Heavy Atoms | 24 |
| Complexity | 1087.3151 |
Chemical Identifiers
| CAS Number | 444149-63-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2Br)OC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 444149-63-7), with molecular formula C19H10BrClO2S and molecular weight 415.93 g/mol. IUPAC: (1-bromonaphthalen-2-yl) 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate
Property Insights of 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate
The XLogP value of 6.6896 indicates that 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate?
The CAS number of 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate is 444149-63-7.
What is the molecular formula of 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular formula of 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate is C19H10BrClO2S.
What is the molecular weight of 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular weight of 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate is 415.93 g/mol.
Where can I buy 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate?
You can request a quote for 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-naphthyl 3-chloro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.