EINECS 287-102-0
TL;DR: EINECS 287-102-0 (CAS 85409-33-2) is a chemical compound with molecular formula C13H17ClN6O2 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride
Also Known As: EINECS 287-102-0, 4-((2-Ethoxyphenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-carboxamidine monohydrochloride, 4-[(2-Ethoxyphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-carboxamidine monohydrochloride, 4-[(2-ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carboximidamide hydrochloride, 1H-Pyrazole-1-carboximidamide, 4-((2-ethoxyphenyl)azo)-4,5-dihydro-3-methyl-5-oxo-, monohydrochloride
| Molecular Formula | C13H17ClN6O2 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 2.07097 |
| Topological Polar Surface Area | 116.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.11014 |
| Heavy Atoms | 22 |
| Complexity | 630.71124 |
Chemical Identifiers
| CAS Number | 85409-33-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N=NC2C(=NN(C2=O)C(=N)N)C.Cl |
Product Overview
EINECS 287-102-0 (CAS 85409-33-2), with molecular formula C13H17ClN6O2 and molecular weight 324.11 g/mol. IUPAC: 4-[(2-ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carboximidamide;hydrochloride.
Chemical Property Profile of EINECS 287-102-0
Property Insights of EINECS 287-102-0
The XLogP value of 2.07097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 287-102-0. The TPSA of 116.49 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 287-102-0. Following Lipinski's Rule of Five, EINECS 287-102-0 has 2 hydrogen bond donor(s) and 6 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 EINECS 287-102-0?
The CAS number of EINECS 287-102-0 is 85409-33-2.
What is the molecular formula of EINECS 287-102-0?
The molecular formula of EINECS 287-102-0 is C13H17ClN6O2.
What is the molecular weight of EINECS 287-102-0?
The molecular weight of EINECS 287-102-0 is 324.11 g/mol.
Where can I buy EINECS 287-102-0?
You can request a quote for EINECS 287-102-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 287-102-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 287-102-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.