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3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯
TL;DR: 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯 (CAS 14575-01-0) is a chemical compound with molecular formula C13H19BrO2 and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯
methyl 3-bromo-5-methyladamantane-1-carboxylate
Also Known As: methyl 3-bromo-5-methyladamantane-1-carboxylate, Methyl 3-bromo-5-methyltricyclo(3.3.1.13,7)decane-1-carboxylate, methyl 5-bromo-3-methyl-adamantane-1-carboxylate, methyl 3-bromo-5-methyltricyclo[3.3.1.13,7]decane-1-carboxylate, Tricyclo(3.3.1.1(3,7)-)decane-1-carboxylic acid, 3-bromo-5-methyl-, methyl ester
| Molecular Formula | C13H19BrO2 |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.05685 |
| Heavy Atoms | 16 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 14575-01-0 |
|---|---|
| SMILES | CC12CC3CC(C1)(CC(C3)(C2)Br)C(=O)OC |
| InChIKey | YWJNXVRXYMATJJ-UHFFFAOYSA-N |
Product Overview
3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯 (CAS 14575-01-0), with molecular formula C13H19BrO2 and molecular weight 286.06 g/mol. IUPAC: methyl 3-bromo-5-methyladamantane-1-carboxylate.
Chemical Property Profile of 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯
Property Insights of 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯
The XLogP value of 3.1 indicates that 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯 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 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯?
The CAS number of 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯 is 14575-01-0.
What is the molecular formula of 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯?
The molecular formula of 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯 is C13H19BrO2.
What is the molecular weight of 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯?
The molecular weight of 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯 is 286.06 g/mol.
Where can I buy 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯?
You can request a quote for 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 3-溴-5-甲基三环[3.3.1.13,7]癸烷-1-甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.