N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide
TL;DR: N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide (CAS 82744-89-6) is a chemical compound with molecular formula C9H9Cl2N3O2 and molecular weight 261.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(diaminomethylidene)-2-(2,6-dichloro-3-hydroxyphenyl)acetamide
Also Known As: 3-Hydroxyguanfacine, 3-Hydroxy Guanfacine, Guanfacine Hydrochloride Impurity 5, n-(diaminomethylidene)-2-(2,6-dichloro-3-hydroxyphenyl)acetamide, N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide
| Molecular Formula | C9H9Cl2N3O2 |
|---|---|
| Molecular Weight | 261.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.00717 |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 82744-89-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1O)Cl)CC(=O)N=C(N)N)Cl |
| InChIKey | WJJWHWYOPUIOBR-UHFFFAOYSA-N |
Product Overview
N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide (CAS 82744-89-6), with molecular formula C9H9Cl2N3O2 and molecular weight 261.01 g/mol. IUPAC: N-(diaminomethylidene)-2-(2,6-dichloro-3-hydroxyphenyl)acetamide.
Chemical Property Profile of N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide
Property Insights of N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide. Following Lipinski's Rule of Five, N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide has 3 hydrogen bond donor(s) and 2 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-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide?
The CAS number of N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide is 82744-89-6.
What is the molecular formula of N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide?
The molecular formula of N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide is C9H9Cl2N3O2.
What is the molecular weight of N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide?
The molecular weight of N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide is 261.01 g/mol.
Where can I buy N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide?
You can request a quote for N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(Aminoiminomethyl)-2,6-dichloro-3-hydroxybenzeneacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.