吐纳麝香
TL;DR: 吐纳麝香 (CAS 21145-77-7) is a chemical compound with molecular formula C18H26O and molecular weight 258.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吐纳麝香
1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone
Also Known As: Tonalide, Tonalid, fixolide, Tetralide, Tentarome
| Molecular Formula | C18H26O |
|---|---|
| Molecular Weight | 258.20 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.19836 |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
| Melting Point | 54.5 °C |
| Boiling Point | The boiling temperature at atmospheric pressure is 326 +/- 4 °C. |
| Density | The relative density will be between the bulk density and its density in molten form: 600 < D < 960 kg/cu m |
| Solubility | In water, 1.25 mg/L, temp not specified |
| Vapor Pressure | 0.000512 [mmHg] |
Chemical Identifiers
| CAS Number | 21145-77-7 |
|---|---|
| SMILES | CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C |
| InChIKey | DNRJTBAOUJJKDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吐纳麝香 (CAS 21145-77-7), with molecular formula C18H26O and molecular weight 258.20 g/mol. IUPAC: 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone.
Chemical Property Profile of 吐纳麝香
Property Insights of 吐纳麝香
The XLogP value of 5.3 indicates that 吐纳麝香 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 吐纳麝香 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吐纳麝香 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 吐纳麝香?
The CAS number of 吐纳麝香 is 21145-77-7.
What is the molecular formula of 吐纳麝香?
The molecular formula of 吐纳麝香 is C18H26O.
What is the molecular weight of 吐纳麝香?
The molecular weight of 吐纳麝香 is 258.20 g/mol.
Where can I buy 吐纳麝香?
You can request a quote for 吐纳麝香 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吐纳麝香?
Yes, KEHONG BIO provides custom synthesis services for 吐纳麝香 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.