![Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide structure](/static/products/6892/68921-79-9.webp)
Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide
TL;DR: Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide (CAS 68921-79-9) is a chemical compound with molecular formula C28H25BrN2OS and molecular weight 516.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[3-(3-benzyl-4-methyl-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole bromide
Also Known As: Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide
| Molecular Formula | C28H25BrN2OS |
|---|---|
| Molecular Weight | 516.09 g/mol |
| LogP | 3.35 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.0871 |
| Heavy Atoms | 33 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 68921-79-9 |
|---|---|
| SMILES | CC1=CSC(=[N+]1CC2=CC=CC=C2)C=CC=C3N(C4=CC=CC=C4O3)CC5=CC=CC=C5.[Br-] |
| InChIKey | NLUPFFAEUIUXLD-UHFFFAOYSA-M |
Product Overview
Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide (CAS 68921-79-9), with molecular formula C28H25BrN2OS and molecular weight 516.09 g/mol. IUPAC: 3-benzyl-2-[3-(3-benzyl-4-methyl-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole bromide.
Chemical Property Profile of Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide
Property Insights of Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide
The XLogP value of 3.35 indicates that Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.6 Ų, Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide 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 Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide?
The CAS number of Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide is 68921-79-9.
What is the molecular formula of Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide?
The molecular formula of Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide is C28H25BrN2OS.
What is the molecular weight of Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide?
The molecular weight of Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide is 516.09 g/mol.
Where can I buy Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide?
You can request a quote for Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazolium, 2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.