Thioborinic acid, dipropyl-, 4-methylphenyl ester
TL;DR: Thioborinic acid, dipropyl-, 4-methylphenyl ester (CAS 64503-46-4) is a chemical compound with molecular formula C13H21BS and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)sulfanyl-dipropylborane
Also Known As: (4-methylphenyl)sulfanyl-dipropylborane, Borinic acid,dipropylthio-4-methylphenyl ester, Thioborinic acid, dipropyl-, 4-methylphenyl ester, [(4-Methylphenyl)sulfanyl]di(propyl)borane, Borinicacid,dipropylthio-4-methylphenylester
| Molecular Formula | C13H21BS |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 4.89862 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.1457 |
| Heavy Atoms | 15 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 64503-46-4 |
|---|---|
| SMILES | B(CCC)(CCC)SC1=CC=C(C=C1)C |
| InChIKey | UKFHDFKOZRKLRW-UHFFFAOYSA-N |
Product Overview
Thioborinic acid, dipropyl-, 4-methylphenyl ester (CAS 64503-46-4), with molecular formula C13H21BS and molecular weight 220.15 g/mol. IUPAC: (4-methylphenyl)sulfanyl-dipropylborane.
Chemical Property Profile of Thioborinic acid, dipropyl-, 4-methylphenyl ester
Property Insights of Thioborinic acid, dipropyl-, 4-methylphenyl ester
The XLogP value of 4.89862 indicates that Thioborinic acid, dipropyl-, 4-methylphenyl 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-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thioborinic acid, dipropyl-, 4-methylphenyl ester has 0 hydrogen bond donor(s) and 1 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 Thioborinic acid, dipropyl-, 4-methylphenyl ester?
The CAS number of Thioborinic acid, dipropyl-, 4-methylphenyl ester is 64503-46-4.
What is the molecular formula of Thioborinic acid, dipropyl-, 4-methylphenyl ester?
The molecular formula of Thioborinic acid, dipropyl-, 4-methylphenyl ester is C13H21BS.
What is the molecular weight of Thioborinic acid, dipropyl-, 4-methylphenyl ester?
The molecular weight of Thioborinic acid, dipropyl-, 4-methylphenyl ester is 220.15 g/mol.
Where can I buy Thioborinic acid, dipropyl-, 4-methylphenyl ester?
You can request a quote for Thioborinic acid, dipropyl-, 4-methylphenyl 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-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thioborinic acid, dipropyl-, 4-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.