RefChem:1089101
TL;DR: RefChem:1089101 (CAS 70925-94-9) is a chemical compound with molecular formula C14H17Cl3N4O3 and molecular weight 394.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[5-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-bis(2-hydroxyethyl)methanimidamide;hydrochloride
Also Known As: Methanimidamide, N,N-bis(2-hydroxyethyl)-N'-(5-((2,6-dichlorophenyl)methyl)-1,2,4-oxadiazol-3-yl)-, hydrochloride, (N,N-Bis(hydroxy-2 ethyl)-formamidino)-3 (dichloro-2,6 benzyl)-5 oxadiazole-1,2,4 HCl, RefChem:1089101
| Molecular Formula | C14H17Cl3N4O3 |
|---|---|
| Molecular Weight | 394.04 g/mol |
| LogP | 2.3354 |
| Topological Polar Surface Area | 94.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.03662 |
| Heavy Atoms | 24 |
| Complexity | 640.2143 |
Chemical Identifiers
| CAS Number | 70925-94-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CC2=NC(=NO2)/N=C/N(CCO)CCO)Cl.Cl |
Product Overview
RefChem:1089101 (CAS 70925-94-9), with molecular formula C14H17Cl3N4O3 and molecular weight 394.04 g/mol. IUPAC: N'-[5-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N,N-bis(2-hydroxyethyl)methanimidamide;hydrochloride.
Chemical Property Profile of RefChem:1089101
Property Insights of RefChem:1089101
The XLogP value of 2.3354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1089101. The TPSA of 94.98 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1089101. Following Lipinski's Rule of Five, RefChem:1089101 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 RefChem:1089101?
The CAS number of RefChem:1089101 is 70925-94-9.
What is the molecular formula of RefChem:1089101?
The molecular formula of RefChem:1089101 is C14H17Cl3N4O3.
What is the molecular weight of RefChem:1089101?
The molecular weight of RefChem:1089101 is 394.04 g/mol.
Where can I buy RefChem:1089101?
You can request a quote for RefChem:1089101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1089101?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1089101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.