Dichloropane
TL;DR: Dichloropane (CAS 146725-34-0) is a chemical compound with molecular formula C15H17Cl2NO2 and molecular weight 313.06 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-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: Dichloropane, Cdct cpd, 2-Carbomethoxy-3-(3,4-dichlorophenyl)tropane, methyl (1R,2S,3S,5S)-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate, 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(3,4-dichlorophenyl)-, methyl ester, (1R-(exo,exo))-
| Molecular Formula | C15H17Cl2NO2 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.06363 |
| Heavy Atoms | 20 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 146725-34-0 |
|---|---|
| SMILES | COC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | JFUNLJPTPCQLIR-PJQZNRQZSA-N |
Product Overview
Dichloropane (CAS 146725-34-0), with molecular formula C15H17Cl2NO2 and molecular weight 313.06 g/mol. IUPAC: methyl (1R,2S,3S,5S)-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of Dichloropane
Property Insights of Dichloropane
The XLogP value of 3.4 indicates that Dichloropane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Dichloropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichloropane 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 Dichloropane?
The CAS number of Dichloropane is 146725-34-0.
What is the molecular formula of Dichloropane?
The molecular formula of Dichloropane is C15H17Cl2NO2.
What is the molecular weight of Dichloropane?
The molecular weight of Dichloropane is 313.06 g/mol.
Where can I buy Dichloropane?
You can request a quote for Dichloropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichloropane?
Yes, KEHONG BIO provides custom synthesis services for Dichloropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.