![[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate structure](/static/products/3383/338393-85-4.webp)
[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate
TL;DR: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate (CAS 338393-85-4) is a chemical compound with molecular formula C21H15N3O4S2 and molecular weight 437.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate
Also Known As: 1P-643S, [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate, 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzyl N-phenylcarbamate, (4-benzothiazol-2-ylsulfanyl-3-nitro-phenyl)methyl N-phenylcarbamate, [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylN-phenylcarbamate
| Molecular Formula | C21H15N3O4S2 |
|---|---|
| Molecular Weight | 437.05 g/mol |
| LogP | 6.1044 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.05038 |
| Heavy Atoms | 30 |
| Complexity | 1178.3434 |
Chemical Identifiers
| CAS Number | 338393-85-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)OCC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-] |
Product Overview
[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate (CAS 338393-85-4), with molecular formula C21H15N3O4S2 and molecular weight 437.05 g/mol. IUPAC: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate.
Chemical Property Profile of [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate
Property Insights of [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate
The XLogP value of 6.1044 indicates that [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.36 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate. Following Lipinski's Rule of Five, [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate?
The CAS number of [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate is 338393-85-4.
What is the molecular formula of [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate?
The molecular formula of [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate is C21H15N3O4S2.
What is the molecular weight of [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate?
The molecular weight of [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate is 437.05 g/mol.
Where can I buy [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate?
You can request a quote for [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.