RefChem:1080302
TL;DR: RefChem:1080302 (CAS 171199-29-4) is a chemical compound with molecular formula C11H13CaCl3N2O2 and molecular weight 349.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;[(Z)-1-chlorobutylideneamino] N-phenylcarbamate;dichloride
Also Known As: Butanimidoyl chloride, N-(((phenylamino)carbonyl)oxy)-, compd. with calcium chloride (1:1), N-(((Phenylamino)carbonyl)oxy)butanimidoyl chloride compd. with calcium chloride (1:1), calcium;[(Z)-1-chlorobutylideneamino] N-phenylcarbamate;dichloride, RefChem:1080302
| Molecular Formula | C11H13CaCl3N2O2 |
|---|---|
| Molecular Weight | 349.97 g/mol |
| LogP | -2.7853 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.96686 |
| Heavy Atoms | 19 |
| Complexity | 377.46286 |
Chemical Identifiers
| CAS Number | 171199-29-4 |
|---|---|
| SMILES | CCC/C(=N/OC(=O)NC1=CC=CC=C1)/Cl.[Cl-].[Cl-].[Ca+2] |
Product Overview
RefChem:1080302 (CAS 171199-29-4), with molecular formula C11H13CaCl3N2O2 and molecular weight 349.97 g/mol. IUPAC: calcium;[(Z)-1-chlorobutylideneamino] N-phenylcarbamate;dichloride.
Chemical Property Profile of RefChem:1080302
Property Insights of RefChem:1080302
The XLogP value of -2.7853 indicates that RefChem:1080302 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.69 Ų, RefChem:1080302 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080302 has 1 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:1080302?
The CAS number of RefChem:1080302 is 171199-29-4.
What is the molecular formula of RefChem:1080302?
The molecular formula of RefChem:1080302 is C11H13CaCl3N2O2.
What is the molecular weight of RefChem:1080302?
The molecular weight of RefChem:1080302 is 349.97 g/mol.
Where can I buy RefChem:1080302?
You can request a quote for RefChem:1080302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080302?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.