1-金刚烷乙酸
TL;DR: 1-金刚烷乙酸 (CAS 4942-47-6) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-金刚烷乙酸
2-(1-adamantyl)acetic acid
Also Known As: 1-Adamantaneacetic acid, 2-(adamantan-1-yl)acetic acid, 1-Adamantylacetic acid, 1-adamantane acetic acid, 2-(1-adamantyl)acetic acid
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 4942-47-6 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CC(=O)O |
| InChIKey | AOTQGWFNFTVXNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-金刚烷乙酸 (CAS 4942-47-6), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 2-(1-adamantyl)acetic acid.
Chemical Property Profile of 1-金刚烷乙酸
Property Insights of 1-金刚烷乙酸
The XLogP value of 3.2 indicates that 1-金刚烷乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-金刚烷乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-金刚烷乙酸 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 1-金刚烷乙酸?
The CAS number of 1-金刚烷乙酸 is 4942-47-6.
What is the molecular formula of 1-金刚烷乙酸?
The molecular formula of 1-金刚烷乙酸 is C12H18O2.
What is the molecular weight of 1-金刚烷乙酸?
The molecular weight of 1-金刚烷乙酸 is 194.13 g/mol.
Where can I buy 1-金刚烷乙酸?
You can request a quote for 1-金刚烷乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-金刚烷乙酸?
Yes, KEHONG BIO provides custom synthesis services for 1-金刚烷乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.