Isopolinate
TL;DR: Isopolinate (CAS 3134-70-1) is a chemical compound with molecular formula C10H19NOS and molecular weight 201.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-propan-2-yl azepane-1-carbothioate
Also Known As: Isopolinate, Isopolinate [ISO], isopropylate, BYRAM, S-isopropyl azepane-1-carbothioate
| Molecular Formula | C10H19NOS |
|---|---|
| Molecular Weight | 201.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.11873 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 3134-70-1 |
|---|---|
| SMILES | CC(C)SC(=O)N1CCCCCC1 |
| InChIKey | LMHHRCOWPQNFTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopolinate (CAS 3134-70-1), with molecular formula C10H19NOS and molecular weight 201.12 g/mol. IUPAC: S-propan-2-yl azepane-1-carbothioate.
Chemical Property Profile of Isopolinate
Property Insights of Isopolinate
The XLogP value of 3.6 indicates that Isopolinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Isopolinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopolinate has 0 hydrogen bond donor(s) and 2 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 Isopolinate?
The CAS number of Isopolinate is 3134-70-1.
What is the molecular formula of Isopolinate?
The molecular formula of Isopolinate is C10H19NOS.
What is the molecular weight of Isopolinate?
The molecular weight of Isopolinate is 201.12 g/mol.
Where can I buy Isopolinate?
You can request a quote for Isopolinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopolinate?
Yes, KEHONG BIO provides custom synthesis services for Isopolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.