RefChem:1080301
TL;DR: RefChem:1080301 (CAS 171199-30-7) is a chemical compound with molecular formula C12H15CaCl3N2O2 and molecular weight 363.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;[(Z)-1-chlorobutylideneamino] N-methyl-N-phenylcarbamate;dichloride
Also Known As: Butanimidoyl chloride, N-(((methylphenylamino)carbonyl)oxy)-, compd. with calcium chloride (1:1), Calcium chloride, compd. with N-(((methylphenylamino)carbonyl)oxy)butanimidoyl chloride, calcium;[(Z)-1-chlorobutylideneamino] N-methyl-N-phenylcarbamate;dichloride, RefChem:1080301
| Molecular Formula | C12H15CaCl3N2O2 |
|---|---|
| Molecular Weight | 363.98 g/mol |
| LogP | -2.761 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.9825 |
| Heavy Atoms | 20 |
| Complexity | 404.94873 |
Chemical Identifiers
| CAS Number | 171199-30-7 |
|---|---|
| SMILES | CCC/C(=N/OC(=O)N(C)C1=CC=CC=C1)/Cl.[Cl-].[Cl-].[Ca+2] |
Product Overview
RefChem:1080301 (CAS 171199-30-7), with molecular formula C12H15CaCl3N2O2 and molecular weight 363.98 g/mol. IUPAC: calcium;[(Z)-1-chlorobutylideneamino] N-methyl-N-phenylcarbamate;dichloride.
Chemical Property Profile of RefChem:1080301
Property Insights of RefChem:1080301
The XLogP value of -2.761 indicates that RefChem:1080301 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:1080301 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080301 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:1080301?
The CAS number of RefChem:1080301 is 171199-30-7.
What is the molecular formula of RefChem:1080301?
The molecular formula of RefChem:1080301 is C12H15CaCl3N2O2.
What is the molecular weight of RefChem:1080301?
The molecular weight of RefChem:1080301 is 363.98 g/mol.
Where can I buy RefChem:1080301?
You can request a quote for RefChem:1080301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080301?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.