Thioborinic acid, dipropyl-, 4-bromophenyl ester
TL;DR: Thioborinic acid, dipropyl-, 4-bromophenyl ester (CAS 64503-49-7) is a chemical compound with molecular formula C12H18BBrS and molecular weight 284.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)sulfanyl-dipropylborane
Also Known As: sulfanyl-dipropyl-borane, (4-bromophenyl)sulfanyl-dipropylborane, Thioborinic acid, dipropyl-, 4-bromophenyl ester, Borinic acid,dipropylthio-4-bromophenyl ester, [(4-Bromophenyl)sulfanyl]di(propyl)borane
| Molecular Formula | C12H18BBrS |
|---|---|
| Molecular Weight | 284.04 g/mol |
| LogP | 5.3527 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.04056 |
| Heavy Atoms | 15 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 64503-49-7 |
|---|---|
| SMILES | B(CCC)(CCC)SC1=CC=C(C=C1)Br |
| InChIKey | AQPDYUVBGURBRP-UHFFFAOYSA-N |
Product Overview
Thioborinic acid, dipropyl-, 4-bromophenyl ester (CAS 64503-49-7), with molecular formula C12H18BBrS and molecular weight 284.04 g/mol. IUPAC: (4-bromophenyl)sulfanyl-dipropylborane.
Chemical Property Profile of Thioborinic acid, dipropyl-, 4-bromophenyl ester
Property Insights of Thioborinic acid, dipropyl-, 4-bromophenyl ester
The XLogP value of 5.3527 indicates that Thioborinic acid, dipropyl-, 4-bromophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Thioborinic acid, dipropyl-, 4-bromophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thioborinic acid, dipropyl-, 4-bromophenyl ester has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thioborinic acid, dipropyl-, 4-bromophenyl ester?
The CAS number of Thioborinic acid, dipropyl-, 4-bromophenyl ester is 64503-49-7.
What is the molecular formula of Thioborinic acid, dipropyl-, 4-bromophenyl ester?
The molecular formula of Thioborinic acid, dipropyl-, 4-bromophenyl ester is C12H18BBrS.
What is the molecular weight of Thioborinic acid, dipropyl-, 4-bromophenyl ester?
The molecular weight of Thioborinic acid, dipropyl-, 4-bromophenyl ester is 284.04 g/mol.
Where can I buy Thioborinic acid, dipropyl-, 4-bromophenyl ester?
You can request a quote for Thioborinic acid, dipropyl-, 4-bromophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioborinic acid, dipropyl-, 4-bromophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thioborinic acid, dipropyl-, 4-bromophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.