4-Bromoacetamidoestrone methyl ether
TL;DR: 4-Bromoacetamidoestrone methyl ether (CAS 7400-80-8) is a chemical compound with molecular formula C20H26BrNO3 and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(11aS)-7-methoxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydro-2H-naphtho[2,1-e][1]benzofuran-6-yl]-2-bromoacetamide
Also Known As: 4-Bromoacetamidoestrone methyl ether, 4H-1,3-Oxazin-4-one,5-benzoyl-6-phenyl-2-propyl, Acetamide, 2-bromo-N-(3-methoxy-17-oxoestra-1,3,5(10)-trien-4-yl)-, N-[(11aS)-7-methoxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydro-2H-naphtho[2,1-e][1]benzofuran-6-yl]-2-bromoacetamide, 2-bromo-n-[(11as)-7-methoxy-11a-methyl-2,3,3a,3b,4,5,9b,10,11,11a-decahydrophenanthro[2,1-b]furan-6-yl]acetamide
| Molecular Formula | C20H26BrNO3 |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.10962 |
| Heavy Atoms | 25 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 7400-80-8 |
|---|---|
| SMILES | C[C@]12CCC3C(C1CCO2)CCC4=C3C=CC(=C4NC(=O)CBr)OC |
| InChIKey | KAXBPFVTQJMGBD-KBILMSAYSA-N |
Product Overview
4-Bromoacetamidoestrone methyl ether (CAS 7400-80-8), with molecular formula C20H26BrNO3 and molecular weight 407.11 g/mol. IUPAC: N-[(11aS)-7-methoxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydro-2H-naphtho[2,1-e][1]benzofuran-6-yl]-2-bromoacetamide.
Chemical Property Profile of 4-Bromoacetamidoestrone methyl ether
Property Insights of 4-Bromoacetamidoestrone methyl ether
The XLogP value of 3.7 indicates that 4-Bromoacetamidoestrone methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 4-Bromoacetamidoestrone methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Bromoacetamidoestrone methyl ether?
The CAS number of 4-Bromoacetamidoestrone methyl ether is 7400-80-8.
What is the molecular formula of 4-Bromoacetamidoestrone methyl ether?
The molecular formula of 4-Bromoacetamidoestrone methyl ether is C20H26BrNO3.
What is the molecular weight of 4-Bromoacetamidoestrone methyl ether?
The molecular weight of 4-Bromoacetamidoestrone methyl ether is 407.11 g/mol.
Where can I buy 4-Bromoacetamidoestrone methyl ether?
You can request a quote for 4-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 4-Bromoacetamidoestrone methyl ether?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromoacetamidoestrone methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.