RefChem:1080711
TL;DR: RefChem:1080711 (CAS 171199-32-9) is a chemical compound with molecular formula C10H10CaCl4N2O2 and molecular weight 369.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;[(E)-1,3-dichloropropylideneamino] N-phenylcarbamate;dichloride
Also Known As: (T-4)-Dichloro(3-chloro-N-(((phenylamino)carbonyl)oxy)propanimidoyl chloride)calcium, Calcium, dichloro(3-chloro-N-(((phenylamino)carbonyl)oxy)propanimidoyl chloride)-, (T-4)-, RefChem:1080711
| Molecular Formula | C10H10CaCl4N2O2 |
|---|---|
| Molecular Weight | 369.91 g/mol |
| LogP | -2.9565 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.91223 |
| Heavy Atoms | 19 |
| Complexity | 379.05222 |
Chemical Identifiers
| CAS Number | 171199-32-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)O/N=C(\CCCl)/Cl.[Cl-].[Cl-].[Ca+2] |
Product Overview
RefChem:1080711 (CAS 171199-32-9), with molecular formula C10H10CaCl4N2O2 and molecular weight 369.91 g/mol. IUPAC: calcium;[(E)-1,3-dichloropropylideneamino] N-phenylcarbamate;dichloride.
Chemical Property Profile of RefChem:1080711
Property Insights of RefChem:1080711
The XLogP value of -2.9565 indicates that RefChem:1080711 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:1080711 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080711 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:1080711?
The CAS number of RefChem:1080711 is 171199-32-9.
What is the molecular formula of RefChem:1080711?
The molecular formula of RefChem:1080711 is C10H10CaCl4N2O2.
What is the molecular weight of RefChem:1080711?
The molecular weight of RefChem:1080711 is 369.91 g/mol.
Where can I buy RefChem:1080711?
You can request a quote for RefChem:1080711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080711?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.