3-(2-Iodobenzoyl)estrone
TL;DR: 3-(2-Iodobenzoyl)estrone (CAS 91999-14-3) is a chemical compound with molecular formula C25H25IO3 and molecular weight 500.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 2-iodobenzoate
Also Known As: 3-(2-Iodobenzoyl)estrone, 17-Oxoestra-1(10),2,4-trien-3-yl 2-iodobenzoate, [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 2-iodobenzoate, Estra-1,3,5(10)-triene-17-one, 3-((2-iodobenzoyl)oxy)-, RefChem:92216
| Molecular Formula | C25H25IO3 |
|---|---|
| Molecular Weight | 500.08 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 500.08484 |
| Heavy Atoms | 29 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 91999-14-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5I |
| InChIKey | MGUISTZCIADYNH-KNPBPUNLSA-N |
Product Overview
3-(2-Iodobenzoyl)estrone (CAS 91999-14-3), with molecular formula C25H25IO3 and molecular weight 500.08 g/mol. IUPAC: [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 2-iodobenzoate.
Chemical Property Profile of 3-(2-Iodobenzoyl)estrone
Property Insights of 3-(2-Iodobenzoyl)estrone
The XLogP value of 5.5 indicates that 3-(2-Iodobenzoyl)estrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3-(2-Iodobenzoyl)estrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Iodobenzoyl)estrone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-Iodobenzoyl)estrone?
The CAS number of 3-(2-Iodobenzoyl)estrone is 91999-14-3.
What is the molecular formula of 3-(2-Iodobenzoyl)estrone?
The molecular formula of 3-(2-Iodobenzoyl)estrone is C25H25IO3.
What is the molecular weight of 3-(2-Iodobenzoyl)estrone?
The molecular weight of 3-(2-Iodobenzoyl)estrone is 500.08 g/mol.
Where can I buy 3-(2-Iodobenzoyl)estrone?
You can request a quote for 3-(2-Iodobenzoyl)estrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Iodobenzoyl)estrone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Iodobenzoyl)estrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.