RefChem:1053079
TL;DR: RefChem:1053079 (CAS 25648-69-5) is a chemical compound with molecular formula C13H20Cl6N2O6 and molecular weight 509.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-[(2,2,2-trichloro-1-hydroxyethyl)carbamoyloxymethyl]pentyl] N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
Also Known As: 2-Methyl-2-propyl-1,3-propanediol bis(1-hydroxy-2,2,2-trichloroethylcarbamate), 1,3-Propanediol, 2-methyl-2-propyl-, bis(1-hydroxy-2,2,2-trichloroethylcarbamate), 2-Methyl-2-propyl-1,3-propanediol N,N'-bis(2,2,2-trichlorohydroxyethyl)dicarbamate, Bis[N- carbamicacid]2-methyl-2-propyltrimethyleneester, carbamic acid, n-(2,2,2-trichloro-1-hydroxyethyl)-, 2-methyl-2-propyl-1,3-propanediyl ester
| Molecular Formula | C13H20Cl6N2O6 |
|---|---|
| Molecular Weight | 509.95 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 511.9423 |
| Heavy Atoms | 27 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 25648-69-5 |
|---|---|
| SMILES | CCCC(C)(COC(=O)NC(C(Cl)(Cl)Cl)O)COC(=O)NC(C(Cl)(Cl)Cl)O |
| InChIKey | OMCKLQRQFUWZOA-UHFFFAOYSA-N |
Product Overview
RefChem:1053079 (CAS 25648-69-5), with molecular formula C13H20Cl6N2O6 and molecular weight 509.95 g/mol. IUPAC: [2-methyl-2-[(2,2,2-trichloro-1-hydroxyethyl)carbamoyloxymethyl]pentyl] N-(2,2,2-trichloro-1-hydroxyethyl)carbamate.
Chemical Property Profile of RefChem:1053079
Property Insights of RefChem:1053079
The XLogP value of 4.4 indicates that RefChem:1053079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1053079. Following Lipinski's Rule of Five, RefChem:1053079 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1053079?
The CAS number of RefChem:1053079 is 25648-69-5.
What is the molecular formula of RefChem:1053079?
The molecular formula of RefChem:1053079 is C13H20Cl6N2O6.
What is the molecular weight of RefChem:1053079?
The molecular weight of RefChem:1053079 is 509.95 g/mol.
Where can I buy RefChem:1053079?
You can request a quote for RefChem:1053079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053079?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.