3-溴-5-甲基金刚烷-1-甲腈
TL;DR: 3-溴-5-甲基金刚烷-1-甲腈 (CAS 25187-58-0) is a chemical compound with molecular formula C12H16BrN and molecular weight 253.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴-5-甲基金刚烷-1-甲腈
3-bromo-5-methyladamantane-1-carbonitrile
Also Known As: 3-bromo-5-methyladamantane-1-carbonitrile
| Molecular Formula | C12H16BrN |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.04662 |
| Heavy Atoms | 14 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 25187-58-0 |
|---|---|
| SMILES | CC12CC3CC(C1)(CC(C3)(C2)Br)C#N |
| InChIKey | PZFUIVGVGIGMPB-UHFFFAOYSA-N |
Product Overview
3-溴-5-甲基金刚烷-1-甲腈 (CAS 25187-58-0), with molecular formula C12H16BrN and molecular weight 253.05 g/mol. IUPAC: 3-bromo-5-methyladamantane-1-carbonitrile.
Chemical Property Profile of 3-溴-5-甲基金刚烷-1-甲腈
Property Insights of 3-溴-5-甲基金刚烷-1-甲腈
The XLogP value of 3.0 indicates that 3-溴-5-甲基金刚烷-1-甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3-溴-5-甲基金刚烷-1-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴-5-甲基金刚烷-1-甲腈 has 0 hydrogen bond donor(s) and 1 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-甲基金刚烷-1-甲腈?
The CAS number of 3-溴-5-甲基金刚烷-1-甲腈 is 25187-58-0.
What is the molecular formula of 3-溴-5-甲基金刚烷-1-甲腈?
The molecular formula of 3-溴-5-甲基金刚烷-1-甲腈 is C12H16BrN.
What is the molecular weight of 3-溴-5-甲基金刚烷-1-甲腈?
The molecular weight of 3-溴-5-甲基金刚烷-1-甲腈 is 253.05 g/mol.
Where can I buy 3-溴-5-甲基金刚烷-1-甲腈?
You can request a quote for 3-溴-5-甲基金刚烷-1-甲腈 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-甲基金刚烷-1-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3-溴-5-甲基金刚烷-1-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.