2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine
TL;DR: 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine (CAS 37109-12-9) is a chemical compound with molecular formula C12H22BrNO and molecular weight 275.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromopentyl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
Also Known As: 2-(5-bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine, 2-(5-bromopentyl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine, 2-(5-bromo-pentyl)-4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazine
| Molecular Formula | C12H22BrNO |
|---|---|
| Molecular Weight | 275.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.08847 |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 37109-12-9 |
|---|---|
| SMILES | CC1CC(N=C(O1)CCCCCBr)(C)C |
| InChIKey | CNEDXHUUQWJBBJ-UHFFFAOYSA-N |
Product Overview
2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine (CAS 37109-12-9), with molecular formula C12H22BrNO and molecular weight 275.09 g/mol. IUPAC: 2-(5-bromopentyl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine.
Chemical Property Profile of 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine
Property Insights of 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine. With a topological polar surface area (TPSA) of 21.6 Ų, 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine 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 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine?
The CAS number of 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine is 37109-12-9.
What is the molecular formula of 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine?
The molecular formula of 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine is C12H22BrNO.
What is the molecular weight of 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine?
The molecular weight of 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine is 275.09 g/mol.
Where can I buy 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine?
You can request a quote for 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Bromopentyl)-4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.