1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine
TL;DR: 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine (CAS 7153-36-8) is a chemical compound with molecular formula C11H13BrN2O and molecular weight 268.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)ethanone
Also Known As: Cid 129651, 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine, 2-bromo-1-(6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)ethanone, 5H-Pyrido(3,2-b)azepine, 5-(bromoacetyl)-6,7,8,9-tetrahydro-, 2-Bromo-1-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-5-yl)ethan-1-one
| Molecular Formula | C11H13BrN2O |
|---|---|
| Molecular Weight | 268.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.02112 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 7153-36-8 |
|---|---|
| SMILES | C1CCN(C2=C(C1)N=CC=C2)C(=O)CBr |
| InChIKey | RDRYJVYHQCKKDP-UHFFFAOYSA-N |
Product Overview
1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine (CAS 7153-36-8), with molecular formula C11H13BrN2O and molecular weight 268.02 g/mol. IUPAC: 2-bromo-1-(6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)ethanone.
Chemical Property Profile of 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine
Property Insights of 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine. With a topological polar surface area (TPSA) of 33.2 Ų, 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine has 0 hydrogen bond donor(s) and 2 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 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine?
The CAS number of 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine is 7153-36-8.
What is the molecular formula of 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine?
The molecular formula of 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine is C11H13BrN2O.
What is the molecular weight of 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine?
The molecular weight of 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine is 268.02 g/mol.
Where can I buy 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine?
You can request a quote for 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.