![2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole structure](/static/products/4778/477869-47-9.webp)
2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole
TL;DR: 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole (CAS 477869-47-9) is a chemical compound with molecular formula C18H17N3O3S2 and molecular weight 387.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl]morpholine
Also Known As: Bionet1_003888, 1P-661S, 2-{[4-(morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole, 4-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl]morpholine, 2-({4-[(morpholin-4-yl)methyl]-2-nitrophenyl}sulfanyl)-1,3-benzothiazole
| Molecular Formula | C18H17N3O3S2 |
|---|---|
| Molecular Weight | 387.07 g/mol |
| LogP | 4.1879 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.07114 |
| Heavy Atoms | 26 |
| Complexity | 905.33093 |
Chemical Identifiers
| CAS Number | 477869-47-9 |
|---|---|
| SMILES | C1COCCN1CC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-] |
Product Overview
2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole (CAS 477869-47-9), with molecular formula C18H17N3O3S2 and molecular weight 387.07 g/mol. IUPAC: 4-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl]morpholine.
Chemical Property Profile of 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole
Property Insights of 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole
The XLogP value of 4.1879 indicates that 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole has 0 hydrogen bond donor(s) and 7 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 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole?
The CAS number of 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole is 477869-47-9.
What is the molecular formula of 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole?
The molecular formula of 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole is C18H17N3O3S2.
What is the molecular weight of 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole?
The molecular weight of 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole is 387.07 g/mol.
Where can I buy 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole?
You can request a quote for 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(Morpholinomethyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.