1-金刚烷甲酰氯
TL;DR: 1-金刚烷甲酰氯 (CAS 2094-72-6) is a chemical compound with molecular formula C11H15ClO and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-金刚烷甲酰氯
adamantane-1-carbonyl chloride
Also Known As: 1-Adamantanecarbonyl chloride, Adamantane-1-carbonyl chloride, Adamantoyl chloride, 1-Adamantoyl chloride, Adamantanecarbonyl chloride
| Molecular Formula | C11H15ClO |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.08115 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 2094-72-6 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)Cl |
| InChIKey | MIBQYWIOHFTKHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-金刚烷甲酰氯 (CAS 2094-72-6), with molecular formula C11H15ClO and molecular weight 198.08 g/mol. IUPAC: adamantane-1-carbonyl chloride.
Chemical Property Profile of 1-金刚烷甲酰氯
Property Insights of 1-金刚烷甲酰氯
The XLogP value of 3.6 indicates that 1-金刚烷甲酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-金刚烷甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-金刚烷甲酰氯 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 1-金刚烷甲酰氯?
The CAS number of 1-金刚烷甲酰氯 is 2094-72-6.
What is the molecular formula of 1-金刚烷甲酰氯?
The molecular formula of 1-金刚烷甲酰氯 is C11H15ClO.
What is the molecular weight of 1-金刚烷甲酰氯?
The molecular weight of 1-金刚烷甲酰氯 is 198.08 g/mol.
Where can I buy 1-金刚烷甲酰氯?
You can request a quote for 1-金刚烷甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-金刚烷甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 1-金刚烷甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.