3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
TL;DR: 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide (CAS 648875-91-6) is a chemical compound with molecular formula C14H17IN2O2S and molecular weight 404.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
Also Known As: AN-329/41562935, 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide, 3-iodo-4-methyl-N-[(tetrahydrofuran-2-ylmethyl)carbamothioyl]benzamide, 3-iodo-4-methyl-N-{[(tetrahydro-2-furanylmethyl)amino]carbonothioyl}benzamide, N-(3-iodo-4-methylbenzoyl)-N'-(tetrahydro-2-furanylmethyl)thiourea
| Molecular Formula | C14H17IN2O2S |
|---|---|
| Molecular Weight | 404.01 g/mol |
| LogP | 2.38292 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.00555 |
| Heavy Atoms | 20 |
| Complexity | 515.8954 |
Chemical Identifiers
| CAS Number | 648875-91-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2CCCO2)I |
Product Overview
3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide (CAS 648875-91-6), with molecular formula C14H17IN2O2S and molecular weight 404.01 g/mol. IUPAC: 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide.
Chemical Property Profile of 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
Property Insights of 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
The XLogP value of 2.38292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide. With a topological polar surface area (TPSA) of 50.36 Ų, 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide has 2 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-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide?
The CAS number of 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide is 648875-91-6.
What is the molecular formula of 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide?
The molecular formula of 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide is C14H17IN2O2S.
What is the molecular weight of 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide?
The molecular weight of 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide is 404.01 g/mol.
Where can I buy 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide?
You can request a quote for 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-iodo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.