3-alpha-Chloronortropane hydrochloride
TL;DR: 3-alpha-Chloronortropane hydrochloride (CAS 3458-81-9) is a chemical compound with molecular formula C7H13Cl2N and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5S)-3-chloro-8-azabicyclo[3.2.1]octane;hydrochloride
Also Known As: 3-alpha-Chloronortropane hydrochloride, (1R,3r,5S)-3-Chloro-8-azabicyclo[3.2.1]octane hydrochloride, 3-alpha-Chloro-1-alpha-H,5-alpha-H-nortropane hydrochloride, 1-alpha-H,5-alpha-H-Nortropane, 3-alpha-chloro-, hydrochloride, (1R,5S)-3-chloro-8-azabicyclo[3.2.1]octane hydrochloride
| Molecular Formula | C7H13Cl2N |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.93 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.04251 |
| Heavy Atoms | 10 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 3458-81-9 |
|---|---|
| SMILES | C1C[C@H]2CC(C[C@@H]1N2)Cl.Cl |
| InChIKey | RKOHZAINZXMIOU-FXFNDYDPSA-N |
Product Overview
3-alpha-Chloronortropane hydrochloride (CAS 3458-81-9), with molecular formula C7H13Cl2N and molecular weight 181.04 g/mol. IUPAC: (1R,5S)-3-chloro-8-azabicyclo[3.2.1]octane;hydrochloride.
Chemical Property Profile of 3-alpha-Chloronortropane hydrochloride
Property Insights of 3-alpha-Chloronortropane hydrochloride
The XLogP value of 1.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-alpha-Chloronortropane hydrochloride. With a topological polar surface area (TPSA) of 12.0 Ų, 3-alpha-Chloronortropane hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-alpha-Chloronortropane hydrochloride has 2 hydrogen bond donor(s) and 1 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 3-alpha-Chloronortropane hydrochloride?
The CAS number of 3-alpha-Chloronortropane hydrochloride is 3458-81-9.
What is the molecular formula of 3-alpha-Chloronortropane hydrochloride?
The molecular formula of 3-alpha-Chloronortropane hydrochloride is C7H13Cl2N.
What is the molecular weight of 3-alpha-Chloronortropane hydrochloride?
The molecular weight of 3-alpha-Chloronortropane hydrochloride is 181.04 g/mol.
Where can I buy 3-alpha-Chloronortropane hydrochloride?
You can request a quote for 3-alpha-Chloronortropane hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-alpha-Chloronortropane hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-alpha-Chloronortropane hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.