羧雌醚
TL;DR: 羧雌醚 (CAS 1755-52-8) is a chemical compound with molecular formula C17H22O3 and molecular weight 274.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羧雌醚
3-ethyl-4-(4-methoxyphenyl)-2-methylcyclohex-3-ene-1-carboxylic acid
Also Known As: 3-ethyl-4-(4-methoxyphenyl)-2-methylcyclohex-3-ene-1-carboxylic acid, 13-(TRICHLOROSILYLMETHYL)HEPTACOSANE, 3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid, 4-10-00-01138 (Beilstein Handbook Reference), 3-Cyclohexene-1-carboxylic acid, 3-ethyl-4-(4-methoxyphenyl)-2-methyl-
| Molecular Formula | C17H22O3 |
|---|---|
| Molecular Weight | 274.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.1569 |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 1755-52-8 |
|---|---|
| SMILES | CCC1=C(CCC(C1C)C(=O)O)C2=CC=C(C=C2)OC |
| InChIKey | VJKVHUZOVAWKEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
羧雌醚 (CAS 1755-52-8), with molecular formula C17H22O3 and molecular weight 274.16 g/mol. IUPAC: 3-ethyl-4-(4-methoxyphenyl)-2-methylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 羧雌醚
Property Insights of 羧雌醚
The XLogP value of 3.1 indicates that 羧雌醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 羧雌醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 羧雌醚 has 1 hydrogen bond donor(s) and 3 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 羧雌醚?
The CAS number of 羧雌醚 is 1755-52-8.
What is the molecular formula of 羧雌醚?
The molecular formula of 羧雌醚 is C17H22O3.
What is the molecular weight of 羧雌醚?
The molecular weight of 羧雌醚 is 274.16 g/mol.
Where can I buy 羧雌醚?
You can request a quote for 羧雌醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羧雌醚?
Yes, KEHONG BIO provides custom synthesis services for 羧雌醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.