![3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide structure](/static/products/4970/497091-55-1.webp)
3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide
TL;DR: 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide (CAS 497091-55-1) is a chemical compound with molecular formula C16H20BrN3O3S and molecular weight 413.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide
Also Known As: 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide, AN-329/41559546, 3-bromo-N-{[2-(cyclohexylcarbonyl)hydrazino]carbonothioyl}-4-methoxybenzamide, N-({[(3-bromo-4-methoxyphenyl)formamido]methanethioyl}amino)cyclohexanecarboxamide, 3-bromo-N-{[2-(cyclohexylcarbonyl)hydrazino]carbothioyl}-4-methoxybenzamide
| Molecular Formula | C16H20BrN3O3S |
|---|---|
| Molecular Weight | 413.04 g/mol |
| LogP | 2.6735 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.0409 |
| Heavy Atoms | 24 |
| Complexity | 632.9937 |
Chemical Identifiers
| CAS Number | 497091-55-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2CCCCC2)Br |
Product Overview
3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide (CAS 497091-55-1), with molecular formula C16H20BrN3O3S and molecular weight 413.04 g/mol. IUPAC: 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide
Property Insights of 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide
The XLogP value of 2.6735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide. Following Lipinski's Rule of Five, 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide has 3 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-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide?
The CAS number of 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide is 497091-55-1.
What is the molecular formula of 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide?
The molecular formula of 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide is C16H20BrN3O3S.
What is the molecular weight of 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide?
The molecular weight of 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide is 413.04 g/mol.
Where can I buy 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide?
You can request a quote for 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.