N-Methyldichloropane hydrochloride
TL;DR: N-Methyldichloropane hydrochloride (CAS 150653-91-1) is a chemical compound with molecular formula C16H20Cl3NO2 and molecular weight 363.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2S,3S,5S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
Also Known As: N-Methyldichloropane hydrochloride, RTI-4229-111, RTI 4229-111, Methyl (1R,2S,3S,5S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride, Methyl 3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate hydrochloride
| Molecular Formula | C16H20Cl3NO2 |
|---|---|
| Molecular Weight | 363.06 g/mol |
| LogP | 4.1545 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.05597 |
| Heavy Atoms | 22 |
| Complexity | 566.32196 |
Chemical Identifiers
| CAS Number | 150653-91-1 |
|---|---|
| SMILES | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC.Cl |
Product Overview
N-Methyldichloropane hydrochloride (CAS 150653-91-1), with molecular formula C16H20Cl3NO2 and molecular weight 363.06 g/mol. IUPAC: methyl (1R,2S,3S,5S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride.
Chemical Property Profile of N-Methyldichloropane hydrochloride
Property Insights of N-Methyldichloropane hydrochloride
The XLogP value of 4.1545 indicates that N-Methyldichloropane hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, N-Methyldichloropane hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyldichloropane hydrochloride has 0 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-Methyldichloropane hydrochloride?
The CAS number of N-Methyldichloropane hydrochloride is 150653-91-1.
What is the molecular formula of N-Methyldichloropane hydrochloride?
The molecular formula of N-Methyldichloropane hydrochloride is C16H20Cl3NO2.
What is the molecular weight of N-Methyldichloropane hydrochloride?
The molecular weight of N-Methyldichloropane hydrochloride is 363.06 g/mol.
Where can I buy N-Methyldichloropane hydrochloride?
You can request a quote for N-Methyldichloropane hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyldichloropane hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-Methyldichloropane hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.