3-Methoxybutyl 3-Mercaptopropionate
TL;DR: 3-Methoxybutyl 3-Mercaptopropionate (CAS 27431-40-9) is a chemical compound with molecular formula C8H16O3S and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxybutyl 3-sulfanylpropanoate
Also Known As: 3-Methoxybutyl 3-Mercaptopropionate, 3-methoxybutyl 3-sulfanylpropanoate, 3-Methoxybutyl 3-mercaptopropanoate, beta-MPA-MB, 3-Methoxybutyl3-mercaptopropanoate
| Molecular Formula | C8H16O3S |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 36.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 192.08202 |
| Heavy Atoms | 12 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 27431-40-9 |
|---|---|
| SMILES | CC(CCOC(=O)CCS)OC |
| InChIKey | APWBGRBFKMJPLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxybutyl 3-Mercaptopropionate (CAS 27431-40-9), with molecular formula C8H16O3S and molecular weight 192.08 g/mol. IUPAC: 3-methoxybutyl 3-sulfanylpropanoate.
Chemical Property Profile of 3-Methoxybutyl 3-Mercaptopropionate
Property Insights of 3-Methoxybutyl 3-Mercaptopropionate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxybutyl 3-Mercaptopropionate. With a topological polar surface area (TPSA) of 36.5 Ų, 3-Methoxybutyl 3-Mercaptopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxybutyl 3-Mercaptopropionate has 1 hydrogen bond donor(s) and 4 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-Methoxybutyl 3-Mercaptopropionate?
The CAS number of 3-Methoxybutyl 3-Mercaptopropionate is 27431-40-9.
What is the molecular formula of 3-Methoxybutyl 3-Mercaptopropionate?
The molecular formula of 3-Methoxybutyl 3-Mercaptopropionate is C8H16O3S.
What is the molecular weight of 3-Methoxybutyl 3-Mercaptopropionate?
The molecular weight of 3-Methoxybutyl 3-Mercaptopropionate is 192.08 g/mol.
Where can I buy 3-Methoxybutyl 3-Mercaptopropionate?
You can request a quote for 3-Methoxybutyl 3-Mercaptopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxybutyl 3-Mercaptopropionate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxybutyl 3-Mercaptopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.