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benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl
TL;DR: benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl (CAS 434305-71-2) is a chemical compound with molecular formula C17H15ClN2O4S and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chloro-4-methoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid
Also Known As: benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl, BENZOICACID,3-[[[ AMINO]THIOXOMETHYL]AMINO]-2-METHYL, 3-({[(3-chloro-4-methoxyphenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid, 3-[(3-chloro-4-methoxy-benzoyl)thiocarbamoylamino]-2-methyl-benzoic Acid, 3-[(3-chloro-4-methoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid
| Molecular Formula | C17H15ClN2O4S |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 3.48202 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.0441 |
| Heavy Atoms | 25 |
| Complexity | 854.5366 |
Chemical Identifiers
| CAS Number | 434305-71-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Cl)C(=O)O |
Product Overview
benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl (CAS 434305-71-2), with molecular formula C17H15ClN2O4S and molecular weight 378.04 g/mol. IUPAC: 3-[(3-chloro-4-methoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid.
Chemical Property Profile of benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl
Property Insights of benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl
The XLogP value of 3.48202 indicates that benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl. Following Lipinski's Rule of Five, benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl 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 benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl?
The CAS number of benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl is 434305-71-2.
What is the molecular formula of benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl?
The molecular formula of benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl is C17H15ClN2O4S.
What is the molecular weight of benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl?
The molecular weight of benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl is 378.04 g/mol.
Where can I buy benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl?
You can request a quote for benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl?
Yes, KEHONG BIO provides custom synthesis services for benzoicacid,3-[[[amino]thioxomethyl]amino]-2-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.