((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid
TL;DR: ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid (CAS 1428-66-6) is a chemical compound with molecular formula C20H24O4 and molecular weight 328.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]acetic acid
Also Known As: 3-O-(Carboxymethyl)estrone, ((17-oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid, 2-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]acetic acid
| Molecular Formula | C20H24O4 |
|---|---|
| Molecular Weight | 328.17 g/mol |
| LogP | 3.5752 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.16745 |
| Heavy Atoms | 24 |
| Complexity | 694.87933 |
Chemical Identifiers
| CAS Number | 1428-66-6 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OCC(=O)O |
Product Overview
((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid (CAS 1428-66-6), with molecular formula C20H24O4 and molecular weight 328.17 g/mol. IUPAC: 2-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]acetic acid.
Chemical Property Profile of ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid
Property Insights of ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid
The XLogP value of 3.5752 indicates that ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid. Following Lipinski's Rule of Five, ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid 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 ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid?
The CAS number of ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid is 1428-66-6.
What is the molecular formula of ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid?
The molecular formula of ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid is C20H24O4.
What is the molecular weight of ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid?
The molecular weight of ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid is 328.17 g/mol.
Where can I buy ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid?
You can request a quote for ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ((17-Oxoestra-1,3,5(10)-trien-3-yl)oxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.