P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid
TL;DR: P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid (CAS 2105-20-6) is a chemical compound with molecular formula C14H18Br2O3S2 and molecular weight 455.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,3-bis(2-bromoethylsulfanyl)propoxy]benzoic acid
Also Known As: CB 1850, p-(2,3-Di(2-bromoethylthio)-n-propyloxy)benzoic acid, 4-[2,3-bis(2-bromoethylsulfanyl)propoxy]benzoic acid, Benzoic acid, 4-(2,3-bis((2-bromoethyl)thio)propoxy)-, p-(2,3-di-(2-bromoethylthio)-n-propyloxy) benzoic acid
| Molecular Formula | C14H18Br2O3S2 |
|---|---|
| Molecular Weight | 455.91 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 455.9064 |
| Heavy Atoms | 21 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 2105-20-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)OCC(CSCCBr)SCCBr |
| InChIKey | GZIOLGZURVYNJA-UHFFFAOYSA-N |
Product Overview
P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid (CAS 2105-20-6), with molecular formula C14H18Br2O3S2 and molecular weight 455.91 g/mol. IUPAC: 4-[2,3-bis(2-bromoethylsulfanyl)propoxy]benzoic acid.
Chemical Property Profile of P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid
Property Insights of P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid
The XLogP value of 4.3 indicates that P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid. Following Lipinski's Rule of Five, P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid has 1 hydrogen bond donor(s) and 5 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 P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid?
The CAS number of P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid is 2105-20-6.
What is the molecular formula of P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid?
The molecular formula of P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid is C14H18Br2O3S2.
What is the molecular weight of P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid?
The molecular weight of P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid is 455.91 g/mol.
Where can I buy P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid?
You can request a quote for P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for P-(2,3-di(2-bromoethylthio)-n-propyloxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.