2,4-Bis(bromomethyl)estrone methyl ether
TL;DR: 2,4-Bis(bromomethyl)estrone methyl ether (CAS 5955-89-5) is a chemical compound with molecular formula C21H26Br2O2 and molecular weight 468.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-2,4-bis(bromomethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 2,4-Bis(bromomethyl)estrone methyl ether, Sid 768770, 2,4-Bis(bromomethyl)-3-methoxy-1,3,5(10)-estratrien-17-one, (8R,9S,13S,14S)-2,4-bis(bromomethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one, 19-bromo-2-(bromomethyl)-1-methoxy-4,9-cyclo-9,10-secoandrosta-1(10),2,4-trien-17-one
| Molecular Formula | C21H26Br2O2 |
|---|---|
| Molecular Weight | 468.03 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.02997 |
| Heavy Atoms | 25 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 5955-89-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=C(C(=C4CBr)OC)CBr |
| InChIKey | MIRBCRXKIBUCFR-POXQLVPFSA-N |
Product Overview
2,4-Bis(bromomethyl)estrone methyl ether (CAS 5955-89-5), with molecular formula C21H26Br2O2 and molecular weight 468.03 g/mol. IUPAC: (8R,9S,13S,14S)-2,4-bis(bromomethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 2,4-Bis(bromomethyl)estrone methyl ether
Property Insights of 2,4-Bis(bromomethyl)estrone methyl ether
The XLogP value of 4.6 indicates that 2,4-Bis(bromomethyl)estrone methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,4-Bis(bromomethyl)estrone methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Bis(bromomethyl)estrone methyl ether has 0 hydrogen bond donor(s) and 2 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 2,4-Bis(bromomethyl)estrone methyl ether?
The CAS number of 2,4-Bis(bromomethyl)estrone methyl ether is 5955-89-5.
What is the molecular formula of 2,4-Bis(bromomethyl)estrone methyl ether?
The molecular formula of 2,4-Bis(bromomethyl)estrone methyl ether is C21H26Br2O2.
What is the molecular weight of 2,4-Bis(bromomethyl)estrone methyl ether?
The molecular weight of 2,4-Bis(bromomethyl)estrone methyl ether is 468.03 g/mol.
Where can I buy 2,4-Bis(bromomethyl)estrone methyl ether?
You can request a quote for 2,4-Bis(bromomethyl)estrone methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis(bromomethyl)estrone methyl ether?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(bromomethyl)estrone methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.