alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone
TL;DR: alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone (CAS 35242-59-2) is a chemical compound with molecular formula C10H14N2O3S and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-carbamothioyl-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide
Also Known As: alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone, 5-18-08-00082 (Beilstein Handbook Reference), 1-(3-Allyl-5-methyl-2-oxotetrahydro-3-furoyl)-2-thiourea, Urea, 1-(3-allyl-5-methyl-2-oxotetrahydro-3-furoyl)-2-thio-, 3-Furancarboxamide, N-(aminothioxomethyl)tetrahydro-5-methyl-2-oxo-3-(2-propenyl)-
| Molecular Formula | C10H14N2O3S |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 0.2441 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.07251 |
| Heavy Atoms | 16 |
| Complexity | 355.9733 |
Chemical Identifiers
| CAS Number | 35242-59-2 |
|---|---|
| SMILES | CC1CC(C(=O)O1)(CC=C)C(=O)NC(=S)N |
Product Overview
alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone (CAS 35242-59-2), with molecular formula C10H14N2O3S and molecular weight 242.07 g/mol. IUPAC: N-carbamothioyl-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide.
Chemical Property Profile of alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone
Property Insights of alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone
The XLogP value of 0.2441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone. Following Lipinski's Rule of Five, alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone 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 alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone?
The CAS number of alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone is 35242-59-2.
What is the molecular formula of alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone?
The molecular formula of alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone is C10H14N2O3S.
What is the molecular weight of alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone?
The molecular weight of alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone is 242.07 g/mol.
Where can I buy alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone?
You can request a quote for alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone?
Yes, KEHONG BIO provides custom synthesis services for alpha-Allyl-alpha-thioallophanyl-gamma-valerolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.