RefChem:1095362
TL;DR: RefChem:1095362 (CAS 64050-74-4) is a chemical compound with molecular formula C12H20Br2Cl3O4P and molecular weight 521.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-5-(1,2-dibromoethyl)cyclohexyl] bis(2-chloroethyl) phosphate
Also Known As: J1.623.522I, 2-chloro-5-(1,2-dibromoethyl)cyclohexyl bis(2-chloroethyl) phosphate, 2-chloropropyl 2,2-dichlorovinyl ethyl phosphate, Phosphoric acid, di-(2-chloroethyl)-2-chloro-5-(1,2-dibromoethyl)cyclohexyl ester, Di-(2-chloroethyl)-2-chloro-5-(1,2-dibromoethyl)cyclohexylphosphate
| Molecular Formula | C12H20Br2Cl3O4P |
|---|---|
| Molecular Weight | 521.85 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 523.8511 |
| Heavy Atoms | 22 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 64050-74-4 |
|---|---|
| SMILES | C1CC(C(CC1C(CBr)Br)OP(=O)(OCCCl)OCCCl)Cl |
| InChIKey | HDNSATWESGTBHA-UHFFFAOYSA-N |
Product Overview
RefChem:1095362 (CAS 64050-74-4), with molecular formula C12H20Br2Cl3O4P and molecular weight 521.85 g/mol. IUPAC: [2-chloro-5-(1,2-dibromoethyl)cyclohexyl] bis(2-chloroethyl) phosphate.
Chemical Property Profile of RefChem:1095362
Property Insights of RefChem:1095362
The XLogP value of 4.1 indicates that RefChem:1095362 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, RefChem:1095362 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1095362 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095362?
The CAS number of RefChem:1095362 is 64050-74-4.
What is the molecular formula of RefChem:1095362?
The molecular formula of RefChem:1095362 is C12H20Br2Cl3O4P.
What is the molecular weight of RefChem:1095362?
The molecular weight of RefChem:1095362 is 521.85 g/mol.
Where can I buy RefChem:1095362?
You can request a quote for RefChem:1095362 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095362?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095362 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.