溴乙酰丙炔醇
TL;DR: 溴乙酰丙炔醇 (CAS 76298-90-3) is a chemical compound with molecular formula C24H37BrN2O3 and molecular weight 480.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴乙酰丙炔醇
2-bromo-N-[2-[4-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]amino]-4-methylcyclohexyl]propan-2-yl]acetamide
Also Known As: BrAAM, cis-BrAAM, BAAM, Br-1-Alpm, Bromoacetylalprenololmenthane
| Molecular Formula | C24H37BrN2O3 |
|---|---|
| Molecular Weight | 480.20 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 480.19876 |
| Heavy Atoms | 30 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 76298-90-3 |
|---|---|
| SMILES | CC1(CCC(CC1)C(C)(C)NC(=O)CBr)NCC(COC2=CC=CC=C2CC=C)O |
| InChIKey | UAXZWLFRPNDCMX-UHFFFAOYSA-N |
Product Overview
溴乙酰丙炔醇 (CAS 76298-90-3), with molecular formula C24H37BrN2O3 and molecular weight 480.20 g/mol. IUPAC: 2-bromo-N-[2-[4-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]amino]-4-methylcyclohexyl]propan-2-yl]acetamide.
Chemical Property Profile of 溴乙酰丙炔醇
Property Insights of 溴乙酰丙炔醇
The XLogP value of 4.7 indicates that 溴乙酰丙炔醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 溴乙酰丙炔醇. Following Lipinski's Rule of Five, 溴乙酰丙炔醇 has 3 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 溴乙酰丙炔醇?
The CAS number of 溴乙酰丙炔醇 is 76298-90-3.
What is the molecular formula of 溴乙酰丙炔醇?
The molecular formula of 溴乙酰丙炔醇 is C24H37BrN2O3.
What is the molecular weight of 溴乙酰丙炔醇?
The molecular weight of 溴乙酰丙炔醇 is 480.20 g/mol.
Where can I buy 溴乙酰丙炔醇?
You can request a quote for 溴乙酰丙炔醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴乙酰丙炔醇?
Yes, KEHONG BIO provides custom synthesis services for 溴乙酰丙炔醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.