阿仑雌酸
TL;DR: 阿仑雌酸 (CAS 65689-53-4) is a chemical compound with molecular formula C17H20O3 and molecular weight 272.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿仑雌酸
3-(6-hydroxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
Also Known As: Methallenestrilphenol, (+-)-Methallenestrilphenol, (+/-)-Methallenestrilphenol, Dimethylethyl allenolic acid, ( -)-Methallenestrilphenol
| Molecular Formula | C17H20O3 |
|---|---|
| Molecular Weight | 272.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.14124 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 65689-53-4 |
|---|---|
| SMILES | CCC(C1=CC2=C(C=C1)C=C(C=C2)O)C(C)(C)C(=O)O |
| InChIKey | OKLBSPJQRWHBMY-UHFFFAOYSA-N |
Product Overview
阿仑雌酸 (CAS 65689-53-4), with molecular formula C17H20O3 and molecular weight 272.14 g/mol. IUPAC: 3-(6-hydroxynaphthalen-2-yl)-2,2-dimethylpentanoic acid.
Chemical Property Profile of 阿仑雌酸
Property Insights of 阿仑雌酸
The XLogP value of 4.4 indicates that 阿仑雌酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 阿仑雌酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 阿仑雌酸 has 2 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 阿仑雌酸?
The CAS number of 阿仑雌酸 is 65689-53-4.
What is the molecular formula of 阿仑雌酸?
The molecular formula of 阿仑雌酸 is C17H20O3.
What is the molecular weight of 阿仑雌酸?
The molecular weight of 阿仑雌酸 is 272.14 g/mol.
Where can I buy 阿仑雌酸?
You can request a quote for 阿仑雌酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿仑雌酸?
Yes, KEHONG BIO provides custom synthesis services for 阿仑雌酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.