3-溴金刚烷-1-甲酸
TL;DR: 3-溴金刚烷-1-甲酸 (CAS 21816-08-0) is a chemical compound with molecular formula C11H15BrO2 and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴金刚烷-1-甲酸
3-bromoadamantane-1-carboxylic acid
Also Known As: 3-bromoadamantane-1-carboxylic acid, 3-bromo-1-adamantanecarboxylic acid, 3-Bromo-adamantane-1-carboxylic acid, Maybridge1_005590, 1-Bromo-3-carboxyadamantane
| Molecular Formula | C11H15BrO2 |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.02554 |
| Heavy Atoms | 14 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 21816-08-0 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)Br)C(=O)O |
| InChIKey | DJUDQBVINJIMFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴金刚烷-1-甲酸 (CAS 21816-08-0), with molecular formula C11H15BrO2 and molecular weight 258.03 g/mol. IUPAC: 3-bromoadamantane-1-carboxylic acid.
Chemical Property Profile of 3-溴金刚烷-1-甲酸
Property Insights of 3-溴金刚烷-1-甲酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-溴金刚烷-1-甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-溴金刚烷-1-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴金刚烷-1-甲酸 has 1 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-溴金刚烷-1-甲酸?
The CAS number of 3-溴金刚烷-1-甲酸 is 21816-08-0.
What is the molecular formula of 3-溴金刚烷-1-甲酸?
The molecular formula of 3-溴金刚烷-1-甲酸 is C11H15BrO2.
What is the molecular weight of 3-溴金刚烷-1-甲酸?
The molecular weight of 3-溴金刚烷-1-甲酸 is 258.03 g/mol.
Where can I buy 3-溴金刚烷-1-甲酸?
You can request a quote for 3-溴金刚烷-1-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴金刚烷-1-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-溴金刚烷-1-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.