3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide
TL;DR: 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide (CAS 642961-70-4) is a chemical compound with molecular formula C13H15IN2O3S and molecular weight 405.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide
Also Known As: 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide, VU0049780-1, 3-iodo-4-methoxy-N-(4-morpholinylcarbonothioyl)benzamide, 3-iodo-4-methoxy-N-(4-morpholinylcarbothioyl)benzamide, AN-329/41573356
| Molecular Formula | C13H15IN2O3S |
|---|---|
| Molecular Weight | 405.98 g/mol |
| LogP | 1.6467 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.9848 |
| Heavy Atoms | 20 |
| Complexity | 518.33777 |
Chemical Identifiers
| CAS Number | 642961-70-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCOCC2)I |
Product Overview
3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide (CAS 642961-70-4), with molecular formula C13H15IN2O3S and molecular weight 405.98 g/mol. IUPAC: 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide.
Chemical Property Profile of 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide
Property Insights of 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide
The XLogP value of 1.6467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide. With a topological polar surface area (TPSA) of 50.8 Ų, 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide 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-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide?
The CAS number of 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide is 642961-70-4.
What is the molecular formula of 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide?
The molecular formula of 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide is C13H15IN2O3S.
What is the molecular weight of 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide?
The molecular weight of 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide is 405.98 g/mol.
Where can I buy 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide?
You can request a quote for 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)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-methoxy-N-(morpholine-4-carbothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-iodo-4-methoxy-N-(morpholine-4-carbothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.