C16H15BrN2O3
TL;DR: C16H15BrN2O3 (CAS 1212237-85-8) is a chemical compound with molecular formula C16H15BrN2O3 and molecular weight 362.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9R)-11-(5-bromofuran-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: (1R,5S)-3-(5-bromofuran-2-carbonyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one, (1S,5R)-3-[(5-bromofuran-2-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
| Molecular Formula | C16H15BrN2O3 |
|---|---|
| Molecular Weight | 362.03 g/mol |
| LogP | 2.4633 |
| Topological Polar Surface Area | 55.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 362.0266 |
| Heavy Atoms | 22 |
| Complexity | 794.6838 |
Chemical Identifiers
| CAS Number | 1212237-85-8 |
|---|---|
| SMILES | C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)C4=CC=C(O4)Br |
Product Overview
C16H15BrN2O3 (CAS 1212237-85-8), with molecular formula C16H15BrN2O3 and molecular weight 362.03 g/mol. IUPAC: (1S,9R)-11-(5-bromofuran-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of C16H15BrN2O3
Property Insights of C16H15BrN2O3
The XLogP value of 2.4633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H15BrN2O3. With a topological polar surface area (TPSA) of 55.45 Ų, C16H15BrN2O3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H15BrN2O3 has 0 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 C16H15BrN2O3?
The CAS number of C16H15BrN2O3 is 1212237-85-8.
What is the molecular formula of C16H15BrN2O3?
The molecular formula of C16H15BrN2O3 is C16H15BrN2O3.
What is the molecular weight of C16H15BrN2O3?
The molecular weight of C16H15BrN2O3 is 362.03 g/mol.
Where can I buy C16H15BrN2O3?
You can request a quote for C16H15BrN2O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H15BrN2O3?
Yes, KEHONG BIO provides custom synthesis services for C16H15BrN2O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.