2-Bromoacetamidoestrone methyl ether
TL;DR: 2-Bromoacetamidoestrone methyl ether (CAS 6642-13-3) is a chemical compound with molecular formula C21H26BrNO3 and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[(13S)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-yl]acetamide
Also Known As: 2-Bromoacetamidoestrone methyl ether, 2-bromo-N-[(13S)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-yl]acetamide, 2-Bromo-N-(3-methoxy-17-oxoestra-1,3,5(10)-trien-2-yl)acetamide, 2-bromo-N-(3-methoxy-17-oxoestra-1,3,5(10)-trien-2-ylacetamide, 2-bromo-n-[(8xi,9xi,14xi)-3-methoxy-17-oxoestra-1(10),2,4-trien-2-yl]acetamide
| Molecular Formula | C21H26BrNO3 |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.10962 |
| Heavy Atoms | 26 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 6642-13-3 |
|---|---|
| SMILES | C[C@]12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)NC(=O)CBr)OC |
| InChIKey | VNGDGEGSZSVNCN-AKLDVZJWSA-N |
Product Overview
2-Bromoacetamidoestrone methyl ether (CAS 6642-13-3), with molecular formula C21H26BrNO3 and molecular weight 419.11 g/mol. IUPAC: 2-bromo-N-[(13S)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-yl]acetamide.
Chemical Property Profile of 2-Bromoacetamidoestrone methyl ether
Property Insights of 2-Bromoacetamidoestrone methyl ether
The XLogP value of 3.4 indicates that 2-Bromoacetamidoestrone methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Bromoacetamidoestrone methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromoacetamidoestrone methyl ether 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 2-Bromoacetamidoestrone methyl ether?
The CAS number of 2-Bromoacetamidoestrone methyl ether is 6642-13-3.
What is the molecular formula of 2-Bromoacetamidoestrone methyl ether?
The molecular formula of 2-Bromoacetamidoestrone methyl ether is C21H26BrNO3.
What is the molecular weight of 2-Bromoacetamidoestrone methyl ether?
The molecular weight of 2-Bromoacetamidoestrone methyl ether is 419.11 g/mol.
Where can I buy 2-Bromoacetamidoestrone methyl ether?
You can request a quote for 2-Bromoacetamidoestrone 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-Bromoacetamidoestrone methyl ether?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoacetamidoestrone methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.