5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one
TL;DR: 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one (CAS 96920-30-8) is a chemical compound with molecular formula C23H17N3OS and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-naphthalen-2-yl-7-phenyl-6-sulfanylidene-2,3-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-8-one
Also Known As: 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one, 5-naphthalen-2-yl-7-phenyl-6-sulfanylidene-2,3-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-8-one, 5-(Naphthalen-2-yl)-7-phenyl-6-sulfanylidene-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one, Pyrrolo(3,4-e)-1,4-diazepin-8(1H)-one, 2,3,6,7-tetrahydro-5-(2-naphthalenyl)-7-phenyl-6-thioxo-, RefChem:101568
| Molecular Formula | C23H17N3OS |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 3.8604 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.10922 |
| Heavy Atoms | 28 |
| Complexity | 1180.6864 |
Chemical Identifiers
| CAS Number | 96920-30-8 |
|---|---|
| SMILES | C1CN=C(C2=C(N1)C(=O)N(C2=S)C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4 |
Product Overview
5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one (CAS 96920-30-8), with molecular formula C23H17N3OS and molecular weight 383.11 g/mol. IUPAC: 5-naphthalen-2-yl-7-phenyl-6-sulfanylidene-2,3-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-8-one.
Chemical Property Profile of 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one
Property Insights of 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one
The XLogP value of 3.8604 indicates that 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one has 1 hydrogen bond donor(s) and 4 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 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one?
The CAS number of 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one is 96920-30-8.
What is the molecular formula of 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one?
The molecular formula of 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one is C23H17N3OS.
What is the molecular weight of 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one?
The molecular weight of 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one is 383.11 g/mol.
Where can I buy 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one?
You can request a quote for 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2'-Naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.