(E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide
TL;DR: (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide (CAS 91417-72-0) is a chemical compound with molecular formula C15H9BrN4S and molecular weight 355.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-N-(4-bromoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
Also Known As: J2.537.951I, F0871-0681, (E)-N'-(4-bromophenyl)benzo[d]thiazole-2-carbohydrazonoyl cyanide, (E)-N-(4-BROMOPHENYL)-1,3-BENZOTHIAZOLE-2-CARBOHYDRAZONOYL CYANIDE, (2E)-N-(4-bromoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
| Molecular Formula | C15H9BrN4S |
|---|---|
| Molecular Weight | 355.97 g/mol |
| LogP | 4.39858 |
| Topological Polar Surface Area | 61.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.97314 |
| Heavy Atoms | 21 |
| Complexity | 812.98615 |
Chemical Identifiers
| CAS Number | 91417-72-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=N/NC3=CC=C(C=C3)Br)/C#N |
Product Overview
(E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide (CAS 91417-72-0), with molecular formula C15H9BrN4S and molecular weight 355.97 g/mol. IUPAC: (2E)-N-(4-bromoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide.
Chemical Property Profile of (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide
Property Insights of (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide
The XLogP value of 4.39858 indicates that (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide. Following Lipinski's Rule of Five, (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide has 1 hydrogen bond donor(s) and 5 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 (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide?
The CAS number of (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide is 91417-72-0.
What is the molecular formula of (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide?
The molecular formula of (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide is C15H9BrN4S.
What is the molecular weight of (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide?
The molecular weight of (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide is 355.97 g/mol.
Where can I buy (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide?
You can request a quote for (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(4-Bromophenyl)-1,3-benzothiazole-2-carbohydrazonoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.