RTI-111 free base
TL;DR: RTI-111 free base (CAS 143965-99-5) is a chemical compound with molecular formula C16H19Cl2NO2 and molecular weight 327.08 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
Also Known As: N-Methyldichloropane, RTI111 free base, RTI-111 free base, (-)-2beta-Carbomethoxy-3beta-(3,4-dichlorophenyl)tropane, Methyl 3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate
| Molecular Formula | C16H19Cl2NO2 |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 3.7327 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.07928 |
| Heavy Atoms | 21 |
| Complexity | 563.208 |
Chemical Identifiers
| CAS Number | 143965-99-5 |
|---|---|
| SMILES | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC |
Product Overview
RTI-111 free base (CAS 143965-99-5), with molecular formula C16H19Cl2NO2 and molecular weight 327.08 g/mol. IUPAC: methyl (1R,2S,3S,5S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of RTI-111 free base
Property Insights of RTI-111 free base
The XLogP value of 3.7327 indicates that RTI-111 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, RTI-111 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RTI-111 free base 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 RTI-111 free base?
The CAS number of RTI-111 free base is 143965-99-5.
What is the molecular formula of RTI-111 free base?
The molecular formula of RTI-111 free base is C16H19Cl2NO2.
What is the molecular weight of RTI-111 free base?
The molecular weight of RTI-111 free base is 327.08 g/mol.
Where can I buy RTI-111 free base?
You can request a quote for RTI-111 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RTI-111 free base?
Yes, KEHONG BIO provides custom synthesis services for RTI-111 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.