7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile
TL;DR: 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile (CAS 338401-14-2) is a chemical compound with molecular formula C22H19BrN4OS and molecular weight 466.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-anilino-3-(4-bromophenyl)-5-morpholin-4-yl-1,4-thiazepine-6-carbonitrile
Also Known As: 7-anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile, 2M-931, 7-anilino-3-(4-bromophenyl)-5-morpholin-4-yl-1,4-thiazepine-6-carbonitrile, 3-(4-bromophenyl)-5-(morpholin-4-yl)-7-(phenylamino)-1,4-thiazepine-6-carbonitrile, 7-anilino-3-(4-bromophenyl)-5-(4-morpholinyl)-1,4-thiazepine-6-carbonitrile
| Molecular Formula | C22H19BrN4OS |
|---|---|
| Molecular Weight | 466.05 g/mol |
| LogP | 5.07228 |
| Topological Polar Surface Area | 60.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.0463 |
| Heavy Atoms | 29 |
| Complexity | 1003.35785 |
Chemical Identifiers
| CAS Number | 338401-14-2 |
|---|---|
| SMILES | C1COCCN1C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=C(C=C4)Br |
Product Overview
7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile (CAS 338401-14-2), with molecular formula C22H19BrN4OS and molecular weight 466.05 g/mol. IUPAC: 7-anilino-3-(4-bromophenyl)-5-morpholin-4-yl-1,4-thiazepine-6-carbonitrile.
Chemical Property Profile of 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile
Property Insights of 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile
The XLogP value of 5.07228 indicates that 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile. Following Lipinski's Rule of Five, 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile?
The CAS number of 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile is 338401-14-2.
What is the molecular formula of 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile?
The molecular formula of 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile is C22H19BrN4OS.
What is the molecular weight of 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile?
The molecular weight of 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile is 466.05 g/mol.
Where can I buy 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile?
You can request a quote for 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-Anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.