N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride
TL;DR: N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride (CAS 61946-94-9) is a chemical compound with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride
Also Known As: piperonylohydroximoyl chloride, N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride, 1,3-Benzodioxole-5-carboximidoyl chloride, N-hydroxy-, N-hydroxy-benzo[1,3]dioxole-5-carboximidoyl chloride, N-Hydroxy-2H-1,3-benzodioxole-5-carboximidoyl chloride
| Molecular Formula | C8H6ClNO3 |
|---|---|
| Molecular Weight | 199.00 g/mol |
| LogP | 1.7899 |
| Topological Polar Surface Area | 51.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.00362 |
| Heavy Atoms | 13 |
| Complexity | 364.4068 |
Chemical Identifiers
| CAS Number | 61946-94-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=NO)Cl |
Product Overview
N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride (CAS 61946-94-9), with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol. IUPAC: N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride.
Chemical Property Profile of N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride
Property Insights of N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride
The XLogP value of 1.7899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride. With a topological polar surface area (TPSA) of 51.05 Ų, N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride has 1 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-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride?
The CAS number of N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride is 61946-94-9.
What is the molecular formula of N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride?
The molecular formula of N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride is C8H6ClNO3.
What is the molecular weight of N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride?
The molecular weight of N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride is 199.00 g/mol.
Where can I buy N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride?
You can request a quote for N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for N-hydroxy-1,3-benzodioxole-5-carboximidoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.