N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride
TL;DR: N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride (CAS 75273-87-9) is a chemical compound with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-1-pyridin-4-ylmethanimine;hydrochloride
Also Known As: N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride, 1,3-Benzodioxol-5-amine, N-(4-pyridinylmethylene)-, monohydrochloride, N-(1,3-benzodioxol-5-yl)-1-pyridin-4-ylmethanimine hydrochloride
| Molecular Formula | C13H11ClN2O2 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 2.9827 |
| Topological Polar Surface Area | 43.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.0509 |
| Heavy Atoms | 18 |
| Complexity | 558.1726 |
Chemical Identifiers
| CAS Number | 75273-87-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N=CC3=CC=NC=C3.Cl |
Product Overview
N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride (CAS 75273-87-9), with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-1-pyridin-4-ylmethanimine;hydrochloride.
Chemical Property Profile of N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride
Property Insights of N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride
The XLogP value of 2.9827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride. With a topological polar surface area (TPSA) of 43.71 Ų, N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride has 0 hydrogen bond donor(s) and 4 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-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride?
The CAS number of N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride is 75273-87-9.
What is the molecular formula of N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride?
The molecular formula of N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride is C13H11ClN2O2.
What is the molecular weight of N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride?
The molecular weight of N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride is 262.05 g/mol.
Where can I buy N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride?
You can request a quote for N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.