美沙雌酸
TL;DR: 美沙雌酸 (CAS 517-18-0) is a chemical compound with molecular formula C18H22O3 and molecular weight 286.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
美沙雌酸
3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
Also Known As: METHALLENESTRIL, Methallenestrol, Vallestril, Novestrine, Ercostrol
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.1569 |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
| Melting Point | 139-140 °C |
| Solubility | SOL IN ETHER & VEGETABLE OILS; INSOL IN WATER; FREELY SOL IN CHLOROFORM |
Chemical Identifiers
| CAS Number | 517-18-0 |
|---|---|
| SMILES | CCC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(C)(C)C(=O)O |
| InChIKey | KHLJKRBMZVNZOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
美沙雌酸 (CAS 517-18-0), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid.
Chemical Property Profile of 美沙雌酸
Property Insights of 美沙雌酸
The XLogP value of 4.7 indicates that 美沙雌酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 美沙雌酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 美沙雌酸 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 美沙雌酸?
The CAS number of 美沙雌酸 is 517-18-0.
What is the molecular formula of 美沙雌酸?
The molecular formula of 美沙雌酸 is C18H22O3.
What is the molecular weight of 美沙雌酸?
The molecular weight of 美沙雌酸 is 286.16 g/mol.
Where can I buy 美沙雌酸?
You can request a quote for 美沙雌酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 美沙雌酸?
Yes, KEHONG BIO provides custom synthesis services for 美沙雌酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.