![3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid structure](/static/products/712/712286-68-5.png)
3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid
TL;DR: 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid (CAS 712286-68-5) is a chemical compound with molecular formula C15H20N2O3S and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclohexylcarbamothioylamino)-4-methoxybenzoic acid
Also Known As: 3-(3-Cyclohexyl-thioureido)-4-methoxy-benzoic acid, 3-(cyclohexylcarbamothioylamino)-4-methoxybenzoic acid, 3-(cyclohexylthiocarbamoylamino)-4-methoxy-benzoic Acid, 3-{[(cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid
| Molecular Formula | C15H20N2O3S |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 3.0125 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.11948 |
| Heavy Atoms | 21 |
| Complexity | 527.6501 |
Chemical Identifiers
| CAS Number | 712286-68-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2CCCCC2 |
Product Overview
3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid (CAS 712286-68-5), with molecular formula C15H20N2O3S and molecular weight 308.12 g/mol. IUPAC: 3-(cyclohexylcarbamothioylamino)-4-methoxybenzoic acid.
Chemical Property Profile of 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid
Property Insights of 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid
The XLogP value of 3.0125 indicates that 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid. Following Lipinski's Rule of Five, 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid has 3 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-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid?
The CAS number of 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid is 712286-68-5.
What is the molecular formula of 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid?
The molecular formula of 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid is C15H20N2O3S.
What is the molecular weight of 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid?
The molecular weight of 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid is 308.12 g/mol.
Where can I buy 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid?
You can request a quote for 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(Cyclohexylamino)carbonothioyl]amino}-4-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.