间位布苯丙胺
TL;DR: 间位布苯丙胺 (CAS 60917-67-1) is a chemical compound with molecular formula C11H16BrNO2 and molecular weight 273.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间位布苯丙胺
1-(5-bromo-2,4-dimethoxyphenyl)propan-2-amine
Also Known As: Meta-DOB, 2,4-dimethoxy-5-bromoamphetamine, 5-bromo-2,4-dimethoxyamphetamine, 1-(5-bromo-2,4-dimethoxyphenyl)propan-2-amine, Benzeneethanamine, 5-bromo-2,4-dimethoxy-alpha-methyl-
| Molecular Formula | C11H16BrNO2 |
|---|---|
| Molecular Weight | 273.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.03644 |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 60917-67-1 |
|---|---|
| SMILES | CC(CC1=CC(=C(C=C1OC)OC)Br)N |
| InChIKey | YFSLPSITQIUFQK-UHFFFAOYSA-N |
Product Overview
间位布苯丙胺 (CAS 60917-67-1), with molecular formula C11H16BrNO2 and molecular weight 273.04 g/mol. IUPAC: 1-(5-bromo-2,4-dimethoxyphenyl)propan-2-amine.
Chemical Property Profile of 间位布苯丙胺
Property Insights of 间位布苯丙胺
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间位布苯丙胺. With a topological polar surface area (TPSA) of 44.5 Ų, 间位布苯丙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间位布苯丙胺 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 间位布苯丙胺?
The CAS number of 间位布苯丙胺 is 60917-67-1.
What is the molecular formula of 间位布苯丙胺?
The molecular formula of 间位布苯丙胺 is C11H16BrNO2.
What is the molecular weight of 间位布苯丙胺?
The molecular weight of 间位布苯丙胺 is 273.04 g/mol.
Where can I buy 间位布苯丙胺?
You can request a quote for 间位布苯丙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间位布苯丙胺?
Yes, KEHONG BIO provides custom synthesis services for 间位布苯丙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.