2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea
TL;DR: 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea (CAS 1049699-96-8) is a chemical compound with molecular formula C13H25BrN2O2S and molecular weight 352.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-heptyl-5-oxooxolan-2-yl)methyl carbamimidothioate;hydrobromide
Also Known As: 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea, (4-heptyl-5-oxotetrahydrofuran-2-yl)methyl carbamimidothioate hydrobromide
| Molecular Formula | C13H25BrN2O2S |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | 3.48317 |
| Topological Polar Surface Area | 76.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.082 |
| Heavy Atoms | 19 |
| Complexity | 289.81677 |
Chemical Identifiers
| CAS Number | 1049699-96-8 |
|---|---|
| SMILES | CCCCCCCC1CC(OC1=O)CSC(=N)N.Br |
Product Overview
2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea (CAS 1049699-96-8), with molecular formula C13H25BrN2O2S and molecular weight 352.08 g/mol. IUPAC: (4-heptyl-5-oxooxolan-2-yl)methyl carbamimidothioate;hydrobromide.
Chemical Property Profile of 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea
Property Insights of 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea
The XLogP value of 3.48317 indicates that 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea. Following Lipinski's Rule of Five, 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea has 2 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 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea?
The CAS number of 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea is 1049699-96-8.
What is the molecular formula of 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea?
The molecular formula of 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea is C13H25BrN2O2S.
What is the molecular weight of 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea?
The molecular weight of 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea is 352.08 g/mol.
Where can I buy 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea?
You can request a quote for 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Heptyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.