去氧糖胺
TL;DR: 去氧糖胺 (CAS 5779-39-5) is a chemical compound with molecular formula C12H17BrN2O2 and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去氧糖胺
N-[3-[(2-bromoethylamino)methyl]-4-methoxyphenyl]acetamide
Also Known As: 3-N-(2-bromoethyl)aminomethyl-4-methoxy-acetamidobenzene, n-(3-{[(2-bromoethyl)amino]methyl}-4-methoxyphenyl)acetamide, Acetamide, N-(3-(((2-bromoethyl)amino)methyl)-4-methoxyphenyl)-, N-[3-[(2-bromoethylamino)methyl]-4-methoxyphenyl]acetamide, ACETAMIDE,N-(3-(((2-BROMOETHYL)AMINO)METHYL)-4-METHOXYPHENYL)-
| Molecular Formula | C12H17BrN2O2 |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.04733 |
| Heavy Atoms | 17 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 5779-39-5 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)OC)CNCCBr |
| InChIKey | KPPZGPTZTHKETK-UHFFFAOYSA-N |
Product Overview
去氧糖胺 (CAS 5779-39-5), with molecular formula C12H17BrN2O2 and molecular weight 300.05 g/mol. IUPAC: N-[3-[(2-bromoethylamino)methyl]-4-methoxyphenyl]acetamide.
Chemical Property Profile of 去氧糖胺
Property Insights of 去氧糖胺
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 去氧糖胺. With a topological polar surface area (TPSA) of 50.4 Ų, 去氧糖胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 去氧糖胺 has 2 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 去氧糖胺?
The CAS number of 去氧糖胺 is 5779-39-5.
What is the molecular formula of 去氧糖胺?
The molecular formula of 去氧糖胺 is C12H17BrN2O2.
What is the molecular weight of 去氧糖胺?
The molecular weight of 去氧糖胺 is 300.05 g/mol.
Where can I buy 去氧糖胺?
You can request a quote for 去氧糖胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去氧糖胺?
Yes, KEHONG BIO provides custom synthesis services for 去氧糖胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.