3-(丁硫基)丙酸
TL;DR: 3-(丁硫基)丙酸 (CAS 946715-93-1) is a chemical compound with molecular formula C7H14O2S and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(丁硫基)丙酸
3-butylsulfanylpropanoic acid
Also Known As: 3-(butylthio)propanoic acid, 3-(Butylsulfanyl)propanoic acid, Propanoic acid, 3-(butylthio)-, 3- propionicacid, 3-butylsulfanylpropanoic acid
| Molecular Formula | C7H14O2S |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.07146 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 946715-93-1 |
|---|---|
| SMILES | CCCCSCCC(=O)O |
| InChIKey | TUUHTXRXGNYVMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(丁硫基)丙酸 (CAS 946715-93-1), with molecular formula C7H14O2S and molecular weight 162.07 g/mol. IUPAC: 3-butylsulfanylpropanoic acid.
Chemical Property Profile of 3-(丁硫基)丙酸
Property Insights of 3-(丁硫基)丙酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(丁硫基)丙酸. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(丁硫基)丙酸. Following Lipinski's Rule of Five, 3-(丁硫基)丙酸 has 1 hydrogen bond donor(s) and 3 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 3-(丁硫基)丙酸?
The CAS number of 3-(丁硫基)丙酸 is 946715-93-1.
What is the molecular formula of 3-(丁硫基)丙酸?
The molecular formula of 3-(丁硫基)丙酸 is C7H14O2S.
What is the molecular weight of 3-(丁硫基)丙酸?
The molecular weight of 3-(丁硫基)丙酸 is 162.07 g/mol.
Where can I buy 3-(丁硫基)丙酸?
You can request a quote for 3-(丁硫基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(丁硫基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(丁硫基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.