3-o-(Carboxymethyl)estrone
TL;DR: 3-o-(Carboxymethyl)estrone (CAS 16883-61-7) 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-[[(8R,9S,13S,14S)-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, Estrone-3-O-ylacetate, ESTRONE 3-CARBOXYMETHYL ETHER, Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid, NCI60_041916
| Molecular Formula | C20H24O4 |
|---|---|
| Molecular Weight | 328.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.16745 |
| Heavy Atoms | 24 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 16883-61-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OCC(=O)O |
| InChIKey | XSDCLHQDGODZPZ-WWNBULGVSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-o-(Carboxymethyl)estrone (CAS 16883-61-7), with molecular formula C20H24O4 and molecular weight 328.17 g/mol. IUPAC: 2-[[(8R,9S,13S,14S)-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 3-o-(Carboxymethyl)estrone
Property Insights of 3-o-(Carboxymethyl)estrone
The XLogP value of 3.1 indicates that 3-o-(Carboxymethyl)estrone 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 3-o-(Carboxymethyl)estrone. Following Lipinski's Rule of Five, 3-o-(Carboxymethyl)estrone has 1 hydrogen bond donor(s) and 4 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 3-o-(Carboxymethyl)estrone?
The CAS number of 3-o-(Carboxymethyl)estrone is 16883-61-7.
What is the molecular formula of 3-o-(Carboxymethyl)estrone?
The molecular formula of 3-o-(Carboxymethyl)estrone is C20H24O4.
What is the molecular weight of 3-o-(Carboxymethyl)estrone?
The molecular weight of 3-o-(Carboxymethyl)estrone is 328.17 g/mol.
Where can I buy 3-o-(Carboxymethyl)estrone?
You can request a quote for 3-o-(Carboxymethyl)estrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-o-(Carboxymethyl)estrone?
Yes, KEHONG BIO provides custom synthesis services for 3-o-(Carboxymethyl)estrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.