N-Methyl-N-butyldopamine hydrochloride
TL;DR: N-Methyl-N-butyldopamine hydrochloride (CAS 57464-70-7) is a chemical compound with molecular formula C13H22ClNO2 and molecular weight 259.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[butyl(methyl)amino]ethyl]benzene-1,2-diol;hydrochloride
Also Known As: N-Methyl-N-butyldopamine HCl, N-Methyl-N-butyldopamine hydrochloride, N-Butyl-N-methyldopamine hydrochloride, 4-(2-(N-Butyl-N-methylamino)ethyl)pyrocatechol hydrochloride, Pyrocatechol, 4-(2-(butyl-methylamino)ethyl)-, hydrochloride
| Molecular Formula | C13H22ClNO2 |
|---|---|
| Molecular Weight | 259.13 g/mol |
| LogP | 2.794 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.1339 |
| Heavy Atoms | 17 |
| Complexity | 331.19556 |
Chemical Identifiers
| CAS Number | 57464-70-7 |
|---|---|
| SMILES | CCCCN(C)CCC1=CC(=C(C=C1)O)O.Cl |
Product Overview
N-Methyl-N-butyldopamine hydrochloride (CAS 57464-70-7), with molecular formula C13H22ClNO2 and molecular weight 259.13 g/mol. IUPAC: 4-[2-[butyl(methyl)amino]ethyl]benzene-1,2-diol;hydrochloride.
Chemical Property Profile of N-Methyl-N-butyldopamine hydrochloride
Property Insights of N-Methyl-N-butyldopamine hydrochloride
The XLogP value of 2.794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-N-butyldopamine hydrochloride. With a topological polar surface area (TPSA) of 43.7 Ų, N-Methyl-N-butyldopamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-N-butyldopamine hydrochloride 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 N-Methyl-N-butyldopamine hydrochloride?
The CAS number of N-Methyl-N-butyldopamine hydrochloride is 57464-70-7.
What is the molecular formula of N-Methyl-N-butyldopamine hydrochloride?
The molecular formula of N-Methyl-N-butyldopamine hydrochloride is C13H22ClNO2.
What is the molecular weight of N-Methyl-N-butyldopamine hydrochloride?
The molecular weight of N-Methyl-N-butyldopamine hydrochloride is 259.13 g/mol.
Where can I buy N-Methyl-N-butyldopamine hydrochloride?
You can request a quote for N-Methyl-N-butyldopamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-N-butyldopamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-N-butyldopamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.