C5H9ClN2O2.CaCl2
TL;DR: C5H9ClN2O2.CaCl2 (CAS 171199-19-2) is a chemical compound with molecular formula C5H9CaCl3N2O2 and molecular weight 273.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;[(Z)-1-chloroethylideneamino] N,N-dimethylcarbamate;dichloride
Also Known As: Ethanimidoyl chloride, N-(((dimethylamino)carbonyl)oxy)-, compd. with calcium chloride (1:1), N-(((Dimethylamino)carbonyl)oxy)ethanimidoyl chloride compd. with calcium chloride (1:1), calcium;[(Z)-1-chloroethylideneamino] N,N-dimethylcarbamate;dichloride, RefChem:1084422
| Molecular Formula | C5H9CaCl3N2O2 |
|---|---|
| Molecular Weight | 273.94 g/mol |
| LogP | -5.116 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.93555 |
| Heavy Atoms | 13 |
| Complexity | 161.85849 |
Chemical Identifiers
| CAS Number | 171199-19-2 |
|---|---|
| SMILES | C/C(=N/OC(=O)N(C)C)/Cl.[Cl-].[Cl-].[Ca+2] |
Product Overview
C5H9ClN2O2.CaCl2 (CAS 171199-19-2), with molecular formula C5H9CaCl3N2O2 and molecular weight 273.94 g/mol. IUPAC: calcium;[(Z)-1-chloroethylideneamino] N,N-dimethylcarbamate;dichloride.
Chemical Property Profile of C5H9ClN2O2.CaCl2
Property Insights of C5H9ClN2O2.CaCl2
The XLogP value of -5.116 indicates that C5H9ClN2O2.CaCl2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.9 Ų, C5H9ClN2O2.CaCl2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C5H9ClN2O2.CaCl2 has 0 hydrogen bond donor(s) and 3 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 C5H9ClN2O2.CaCl2?
The CAS number of C5H9ClN2O2.CaCl2 is 171199-19-2.
What is the molecular formula of C5H9ClN2O2.CaCl2?
The molecular formula of C5H9ClN2O2.CaCl2 is C5H9CaCl3N2O2.
What is the molecular weight of C5H9ClN2O2.CaCl2?
The molecular weight of C5H9ClN2O2.CaCl2 is 273.94 g/mol.
Where can I buy C5H9ClN2O2.CaCl2?
You can request a quote for C5H9ClN2O2.CaCl2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C5H9ClN2O2.CaCl2?
Yes, KEHONG BIO provides custom synthesis services for C5H9ClN2O2.CaCl2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.