![7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one structure](/static/products/7012/701241-99-8.webp)
7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
TL;DR: 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one (CAS 701241-99-8) is a chemical compound with molecular formula C21H22BrN3O2 and molecular weight 427.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-5-phenyl-4-(2-pyrrolidin-1-ylacetyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 7-bromo-5-phenyl-4-(2-pyrrolidin-1-ylacetyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 7-bromo-5-phenyl-4-(2-(pyrrolidin-1-yl)acetyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 7-bromo-5-phenyl-4-(1-pyrrolidinylacetyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, REGID_for_CID_2953149
| Molecular Formula | C21H22BrN3O2 |
|---|---|
| Molecular Weight | 427.09 g/mol |
| LogP | 3.415 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.08954 |
| Heavy Atoms | 27 |
| Complexity | 849.76013 |
Chemical Identifiers
| CAS Number | 701241-99-8 |
|---|---|
| SMILES | C1CCN(C1)CC(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br |
Product Overview
7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one (CAS 701241-99-8), with molecular formula C21H22BrN3O2 and molecular weight 427.09 g/mol. IUPAC: 7-bromo-5-phenyl-4-(2-pyrrolidin-1-ylacetyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
Property Insights of 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
The XLogP value of 3.415 indicates that 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one has 1 hydrogen bond donor(s) and 3 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 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
The CAS number of 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one is 701241-99-8.
What is the molecular formula of 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
The molecular formula of 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one is C21H22BrN3O2.
What is the molecular weight of 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
The molecular weight of 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one is 427.09 g/mol.
Where can I buy 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
You can request a quote for 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-bromo-5-phenyl-4-[2-(pyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.