RefChem:221021
TL;DR: RefChem:221021 (CAS 52467-75-1) is a chemical compound with molecular formula C15H29BrN2O3 and molecular weight 364.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(dibutylamino)methyl]-4-methyl-1,4-oxazepane-5,7-dione;hydrobromide
Also Known As: Dihydro-2-((dibutylamino)methyl)-4-methyl-1,4-oxazepine-5,7(2H,6H)-dione monohydrobromide, 1,4-Oxazepine-5,7(2H,6H)-dione, dihydro-2-((dibutylamino)methyl)-4-methyl-, monohydrobromide, 2-[(dibutylamino)methyl]-4-methyl-1,4-oxazepane-5,7-dione hydrobromide, 2-[(Dibutylamino)methyl]-4-methyl-1,4-oxazepane-5,7-dione--hydrogen bromide (1/1), RefChem:221021
| Molecular Formula | C15H29BrN2O3 |
|---|---|
| Molecular Weight | 364.14 g/mol |
| LogP | 2.2404 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.13617 |
| Heavy Atoms | 21 |
| Complexity | 318.0406 |
Chemical Identifiers
| CAS Number | 52467-75-1 |
|---|---|
| SMILES | CCCCN(CCCC)CC1CN(C(=O)CC(=O)O1)C.Br |
Product Overview
RefChem:221021 (CAS 52467-75-1), with molecular formula C15H29BrN2O3 and molecular weight 364.14 g/mol. IUPAC: 2-[(dibutylamino)methyl]-4-methyl-1,4-oxazepane-5,7-dione;hydrobromide.
Chemical Property Profile of RefChem:221021
Property Insights of RefChem:221021
The XLogP value of 2.2404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:221021. With a topological polar surface area (TPSA) of 49.85 Ų, RefChem:221021 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:221021 has 0 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 RefChem:221021?
The CAS number of RefChem:221021 is 52467-75-1.
What is the molecular formula of RefChem:221021?
The molecular formula of RefChem:221021 is C15H29BrN2O3.
What is the molecular weight of RefChem:221021?
The molecular weight of RefChem:221021 is 364.14 g/mol.
Where can I buy RefChem:221021?
You can request a quote for RefChem:221021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:221021?
Yes, KEHONG BIO provides custom synthesis services for RefChem:221021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.