![2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid structure](/static/products/5324/532414-53-2.webp)
2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid
TL;DR: 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid (CAS 532414-53-2) is a chemical compound with molecular formula C15H10Br2N2O3S and molecular weight 455.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzoylcarbamothioylamino)-3,5-dibromobenzoic acid
Also Known As: 2-(benzoylcarbamothioylamino)-3,5-dibromobenzoic acid, 2-(benzoylthiocarbamoylamino)-3,5-dibromo-benzoic Acid, 2-[[(benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid, 2-[[(Benzoylamino)thioxomethyl ]amino]-3,5-dibromo-benzoic acid
| Molecular Formula | C15H10Br2N2O3S |
|---|---|
| Molecular Weight | 455.88 g/mol |
| LogP | 4.0366 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.8779 |
| Heavy Atoms | 23 |
| Complexity | 781.7915 |
Chemical Identifiers
| CAS Number | 532414-53-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2Br)Br)C(=O)O |
Product Overview
2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid (CAS 532414-53-2), with molecular formula C15H10Br2N2O3S and molecular weight 455.88 g/mol. IUPAC: 2-(benzoylcarbamothioylamino)-3,5-dibromobenzoic acid.
Chemical Property Profile of 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid
Property Insights of 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid
The XLogP value of 4.0366 indicates that 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid. Following Lipinski's Rule of Five, 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic 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 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid?
The CAS number of 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid is 532414-53-2.
What is the molecular formula of 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid?
The molecular formula of 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid is C15H10Br2N2O3S.
What is the molecular weight of 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid?
The molecular weight of 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid is 455.88 g/mol.
Where can I buy 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid?
You can request a quote for 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(Benzoylamino)thioxomethyl]amino]-3,5-dibromo-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.