3-金刚烷甲酸间甲苯酯
TL;DR: 3-金刚烷甲酸间甲苯酯 (CAS 73599-99-2) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-金刚烷甲酸间甲苯酯
(3-methylphenyl) adamantane-1-carboxylate
Also Known As: m-Tolyl 3-adamantanecarboxylate, 3-ADAMANTANECARBOXYLIC ACID, m-TOLYL ESTER, m-tolyl adamantane-1-carboxylate, (3-methylphenyl) adamantane-1-carboxylate, 1-Adamantanecarboxylic acid m-tolyl ester
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 73599-99-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)C3 |
| InChIKey | DYVRJWFCGLMSCP-UHFFFAOYSA-N |
Product Overview
3-金刚烷甲酸间甲苯酯 (CAS 73599-99-2), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: (3-methylphenyl) adamantane-1-carboxylate.
Chemical Property Profile of 3-金刚烷甲酸间甲苯酯
Property Insights of 3-金刚烷甲酸间甲苯酯
The XLogP value of 4.7 indicates that 3-金刚烷甲酸间甲苯酯 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-金刚烷甲酸间甲苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-金刚烷甲酸间甲苯酯 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-金刚烷甲酸间甲苯酯?
The CAS number of 3-金刚烷甲酸间甲苯酯 is 73599-99-2.
What is the molecular formula of 3-金刚烷甲酸间甲苯酯?
The molecular formula of 3-金刚烷甲酸间甲苯酯 is C18H22O2.
What is the molecular weight of 3-金刚烷甲酸间甲苯酯?
The molecular weight of 3-金刚烷甲酸间甲苯酯 is 270.16 g/mol.
Where can I buy 3-金刚烷甲酸间甲苯酯?
You can request a quote for 3-金刚烷甲酸间甲苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-金刚烷甲酸间甲苯酯?
Yes, KEHONG BIO provides custom synthesis services for 3-金刚烷甲酸间甲苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.