![2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole structure](/static/products/4000/400084-35-7.webp)
2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole
TL;DR: 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole (CAS 400084-35-7) is a chemical compound with molecular formula C18H10BrClN2OS and molecular weight 415.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)sulfanyl-3-pyridinyl]-5-chloro-1,3-benzoxazole
Also Known As: 5J-605S, 2-{2-[(4-bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole, 2-[2-(4-bromophenyl)sulfanylpyridin-3-yl]-5-chloro-1,3-benzoxazole, 2-[2-(4-bromophenyl)sulfanylpyridin-3-yl]-5-chloro-benzooxazole, 2-{2-[(4-bromophenyl)sulfanyl]pyridin-3-yl}-5-chloro-1,3-benzoxazole
| Molecular Formula | C18H10BrClN2OS |
|---|---|
| Molecular Weight | 415.94 g/mol |
| LogP | 6.4569 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.93857 |
| Heavy Atoms | 24 |
| Complexity | 1017.1455 |
Chemical Identifiers
| CAS Number | 400084-35-7 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SC2=CC=C(C=C2)Br)C3=NC4=C(O3)C=CC(=C4)Cl |
Product Overview
2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole (CAS 400084-35-7), with molecular formula C18H10BrClN2OS and molecular weight 415.94 g/mol. IUPAC: 2-[2-(4-bromophenyl)sulfanyl-3-pyridinyl]-5-chloro-1,3-benzoxazole.
Chemical Property Profile of 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole
Property Insights of 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole
The XLogP value of 6.4569 indicates that 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole?
The CAS number of 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole is 400084-35-7.
What is the molecular formula of 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole?
The molecular formula of 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole is C18H10BrClN2OS.
What is the molecular weight of 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole?
The molecular weight of 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole is 415.94 g/mol.
Where can I buy 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole?
You can request a quote for 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{2-[(4-Bromophenyl)sulfanyl]-3-pyridinyl}-5-chloro-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.