RefChem:1072543
TL;DR: RefChem:1072543 (CAS 63982-17-2) is a chemical compound with molecular formula C14H21BrN2O2 and molecular weight 328.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-[6-(methylcarbamoyloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium bromide
Also Known As: Carbamic acid, methyl-, (5,6,7,8-tetrahydro-5-dimethylamino)-2-naphthyl ester, hydrobromide, CARBAMIC ACID, METHYL-, (5,6,7,8-TETRAHYDRO-5-DIMETHYLAMINO)-2-NAPHTHYL ESTER, H, dimethyl-[6-(methylcarbamoyloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium bromide, 2-Naphthalenol, 5-(dimethylamino)-5,6,7,8-tetrahydro-, methylcarbamate (ester), monohydrobromide, 5-(Dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl hydrogen methylcarbonimidate--hydrogen bromide (1/1)
Technical Specifications
| Molecular Formula | C14H21BrN2O2 |
| Molecular Weight | 328.07864 g/mol |
| XLogP | -2.07 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.07864 Da |
| Heavy Atoms | 19 |
| Complexity | 294.0 |
| SMILES | CNC(=O)OC1=CC2=C(C=C1)C(CCC2)[NH+](C)C.[Br-] |
| InChIKey | YBUQOCFOOVKJAO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1072543
Property Insights of RefChem:1072543
The XLogP value of -2.07 indicates that RefChem:1072543 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1072543 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1072543 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1072543?
The CAS number of RefChem:1072543 is 63982-17-2.
What is the molecular formula of RefChem:1072543?
The molecular formula of RefChem:1072543 is C14H21BrN2O2.
What is the molecular weight of RefChem:1072543?
The molecular weight of RefChem:1072543 is 328.07864 g/mol.
Where can I buy RefChem:1072543?
You can request a quote for RefChem:1072543 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1072543?
Yes, CoreyChem provides custom synthesis services for RefChem:1072543 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.