1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene
TL;DR: 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene (CAS 88873-90-9) is a chemical compound with molecular formula C12H17BrClO2PS2 and molecular weight 401.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bis(propylsulfanyl)phosphoryloxy-4-bromo-2-chlorobenzene
Also Known As: 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene, 1-bis(propylsulfanyl)phosphoryloxy-4-bromo-2-chloro-benzene, 1-bis(propylsulfanyl)phosphoryloxy-4-bromo-2-chlorobenzene, O-(4-bromo-2-chlorophenyl) S,S-dipropyl phosphorodithioate
| Molecular Formula | C12H17BrClO2PS2 |
|---|---|
| Molecular Weight | 401.93 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.92795 |
| Heavy Atoms | 19 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 88873-90-9 |
|---|---|
| SMILES | CCCSP(=O)(OC1=C(C=C(C=C1)Br)Cl)SCCC |
| InChIKey | YIBPHCXZZLOKSZ-UHFFFAOYSA-N |
Product Overview
1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene (CAS 88873-90-9), with molecular formula C12H17BrClO2PS2 and molecular weight 401.93 g/mol. IUPAC: 1-bis(propylsulfanyl)phosphoryloxy-4-bromo-2-chlorobenzene.
Chemical Property Profile of 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene
Property Insights of 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene
The XLogP value of 5.6 indicates that 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene. Following Lipinski's Rule of Five, 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene 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 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene?
The CAS number of 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene is 88873-90-9.
What is the molecular formula of 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene?
The molecular formula of 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene is C12H17BrClO2PS2.
What is the molecular weight of 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene?
The molecular weight of 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene is 401.93 g/mol.
Where can I buy 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene?
You can request a quote for 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bis(propylthio)phosphoryloxy-4-bromo-2-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.