特拉赛麝香
TL;DR: 特拉赛麝香 (CAS 68857-95-4) 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.
特拉赛麝香
1-[(2R,3R)-1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl]ethanone
Also Known As: Traseolide, ATII, 5-Acetyl-3-isopropyl-1,1,2,6-tetramethylindane, 5-acetyl-1,1,2,6-tetramethyl-3-isopropylindane, SID:135727776
| Molecular Formula | C18H26O |
|---|---|
| Molecular Weight | 258.20 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.19836 |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
| Melting Point | -50 °C at 101.325 kPa |
| Boiling Point | 321 °C at 101.325 kPa |
| Density | 0.979 at 20 °C |
| Solubility | In water, 0.085 mg/L |
| Vapor Pressure | VP: 7.5X10-5 mm Hg at 20 °C (0.01 Pa) |
| Refractive Index | = 1.5301 at 20 °C |
Chemical Identifiers
| CAS Number | 68857-95-4 |
|---|---|
| SMILES | C[C@@H]1[C@H](C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)C(C)C |
| InChIKey | IMRYETFJNLKUHK-SJKOYZFVSA-N |
Product Overview
特拉赛麝香 (CAS 68857-95-4), with molecular formula C18H26O and molecular weight 258.20 g/mol. IUPAC: 1-[(2R,3R)-1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl]ethanone.
Chemical Property Profile of 特拉赛麝香
Property Insights of 特拉赛麝香
The XLogP value of 5.1 indicates that 特拉赛麝香 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 特拉赛麝香 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 特拉赛麝香 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 特拉赛麝香?
The CAS number of 特拉赛麝香 is 68857-95-4.
What is the molecular formula of 特拉赛麝香?
The molecular formula of 特拉赛麝香 is C18H26O.
What is the molecular weight of 特拉赛麝香?
The molecular weight of 特拉赛麝香 is 258.20 g/mol.
Where can I buy 特拉赛麝香?
You can request a quote for 特拉赛麝香 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 特拉赛麝香?
Yes, KEHONG BIO provides custom synthesis services for 特拉赛麝香 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.