![N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide structure](/static/products/6809/6809-12-7.webp)
N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
TL;DR: N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide (CAS 6809-12-7) is a chemical compound with molecular formula C26H23FN2O2S and molecular weight 446.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
Also Known As: N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide, K788-2595, N-CYCLOPENTYL-10-(4-FLUOROBENZYL)-11-OXO-10,11-DIHYDRODIBENZO[B,F][1,4]THIAZEPINE-8-CARBOXAMIDE, N-Cyclopentyl-10-[(4-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
| Molecular Formula | C26H23FN2O2S |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 5.8097 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.14642 |
| Heavy Atoms | 32 |
| Complexity | 1172.6993 |
Chemical Identifiers
| CAS Number | 6809-12-7 |
|---|---|
| SMILES | C1CCC(C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F |
Product Overview
N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide (CAS 6809-12-7), with molecular formula C26H23FN2O2S and molecular weight 446.15 g/mol. IUPAC: N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide.
Chemical Property Profile of N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
Property Insights of N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
The XLogP value of 5.8097 indicates that N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide?
The CAS number of N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide is 6809-12-7.
What is the molecular formula of N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide?
The molecular formula of N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide is C26H23FN2O2S.
What is the molecular weight of N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide?
The molecular weight of N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide is 446.15 g/mol.
Where can I buy N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide?
You can request a quote for N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.