RefChem:1096818
TL;DR: RefChem:1096818 (CAS 171199-24-9) is a chemical compound with molecular formula C7H13CaCl3N2O2 and molecular weight 301.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;[(Z)-(1-chloro-2-methylpropylidene)amino] N,N-dimethylcarbamate;dichloride
Also Known As: Propanimidoyl chloride, N-(((dimethylamino)carbonyl)oxy)-2-methyl-, compd. with calcium chloride (1:1), Calcium [(1-chloro-2-methyl-propylidene)amino] N,N-dimethylcarbamate Dichloride, calcium;[(Z)-(1-chloro-2-methylpropylidene)amino] N,N-dimethylcarbamate;dichloride, RefChem:1096818
| Molecular Formula | C7H13CaCl3N2O2 |
|---|---|
| Molecular Weight | 301.97 g/mol |
| LogP | -4.4799 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.96686 |
| Heavy Atoms | 15 |
| Complexity | 200.67432 |
Chemical Identifiers
| CAS Number | 171199-24-9 |
|---|---|
| SMILES | CC(C)/C(=N/OC(=O)N(C)C)/Cl.[Cl-].[Cl-].[Ca+2] |
Product Overview
RefChem:1096818 (CAS 171199-24-9), with molecular formula C7H13CaCl3N2O2 and molecular weight 301.97 g/mol. IUPAC: calcium;[(Z)-(1-chloro-2-methylpropylidene)amino] N,N-dimethylcarbamate;dichloride.
Chemical Property Profile of RefChem:1096818
Property Insights of RefChem:1096818
The XLogP value of -4.4799 indicates that RefChem:1096818 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, RefChem:1096818 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096818 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 RefChem:1096818?
The CAS number of RefChem:1096818 is 171199-24-9.
What is the molecular formula of RefChem:1096818?
The molecular formula of RefChem:1096818 is C7H13CaCl3N2O2.
What is the molecular weight of RefChem:1096818?
The molecular weight of RefChem:1096818 is 301.97 g/mol.
Where can I buy RefChem:1096818?
You can request a quote for RefChem:1096818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096818?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.