METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE
TL;DR: METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE (CAS 1023532-72-0) is a chemical compound with molecular formula C18H19N3O4S and molecular weight 373.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-[2-[(4-methylphenyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate
Also Known As: METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE, methyl 4-[2-[2-[(4-methylphenyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate, methyl 4-[({[(4-methylphenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate, Methyl 4-[[(4-methylphenyl)thiocarbamoylamino]carbamoylmethoxy]benzoate, methyl 4-[2-oxo-2-[2-(p-tolylcarbamothioyl)hydrazino]ethoxy]benzoate
| Molecular Formula | C18H19N3O4S |
|---|---|
| Molecular Weight | 373.11 g/mol |
| LogP | 2.17822 |
| Topological Polar Surface Area | 88.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.10962 |
| Heavy Atoms | 26 |
| Complexity | 776.02814 |
Chemical Identifiers
| CAS Number | 1023532-72-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(=O)OC |
Product Overview
METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE (CAS 1023532-72-0), with molecular formula C18H19N3O4S and molecular weight 373.11 g/mol. IUPAC: methyl 4-[2-[2-[(4-methylphenyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate.
Chemical Property Profile of METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE
Property Insights of METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE
The XLogP value of 2.17822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE. The TPSA of 88.69 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE. Following Lipinski's Rule of Five, METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE has 3 hydrogen bond donor(s) and 5 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 METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE?
The CAS number of METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE is 1023532-72-0.
What is the molecular formula of METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE?
The molecular formula of METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE is C18H19N3O4S.
What is the molecular weight of METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE?
The molecular weight of METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE is 373.11 g/mol.
Where can I buy METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE?
You can request a quote for METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 4-((N-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.