3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile
TL;DR: 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile (CAS 165824-78-2) is a chemical compound with molecular formula C22H20N4S and molecular weight 372.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-anilino-3-phenyl-5-pyrrolidin-1-yl-1,4-thiazepine-6-carbonitrile
Also Known As: 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile, 7-anilino-3-phenyl-5-pyrrolidin-1-yl-1,4-thiazepine-6-carbonitrile, 7-Anilino-3-phenyl-5-(pyrrolidin-1-yl)-1,4-thiazepine-6-carbonitrile
| Molecular Formula | C22H20N4S |
|---|---|
| Molecular Weight | 372.14 g/mol |
| LogP | 5.07338 |
| Topological Polar Surface Area | 51.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.14087 |
| Heavy Atoms | 27 |
| Complexity | 933.283 |
Chemical Identifiers
| CAS Number | 165824-78-2 |
|---|---|
| SMILES | C1CCN(C1)C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile (CAS 165824-78-2), with molecular formula C22H20N4S and molecular weight 372.14 g/mol. IUPAC: 7-anilino-3-phenyl-5-pyrrolidin-1-yl-1,4-thiazepine-6-carbonitrile.
Chemical Property Profile of 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile
Property Insights of 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile
The XLogP value of 5.07338 indicates that 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.42 Ų, 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile?
The CAS number of 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile is 165824-78-2.
What is the molecular formula of 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile?
The molecular formula of 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile is C22H20N4S.
What is the molecular weight of 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile?
The molecular weight of 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile is 372.14 g/mol.
Where can I buy 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile?
You can request a quote for 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-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 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-7-(phenylamino)-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.