2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid
TL;DR: 2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid (CAS 530139-68-5) is a chemical compound with molecular formula C15H10Cl2N2O3S and molecular weight 367.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid
Also Known As: 2-[[thioxomethyl]amino]-3,5-dichloro-benzoicacid, 2-(benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid, 2-(benzoylthiocarbamoylamino)-3,5-dichloro-benzoic Acid, 2-[[ THIOXOMETHYL]AMINO]-3,5-DICHLORO-BENZOICACID, 2-[[(BENZOYLAMINO)THIOXOMETHYL ]AMINO]-3,5-DICHLORO-BENZOIC ACID
| Molecular Formula | C15H10Cl2N2O3S |
|---|---|
| Molecular Weight | 367.98 g/mol |
| LogP | 3.8184 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.9789 |
| Heavy Atoms | 23 |
| Complexity | 781.7915 |
Chemical Identifiers
| CAS Number | 530139-68-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2Cl)Cl)C(=O)O |
Product Overview
2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid (CAS 530139-68-5), with molecular formula C15H10Cl2N2O3S and molecular weight 367.98 g/mol. IUPAC: 2-(benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid.
Chemical Property Profile of 2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid
Property Insights of 2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid
The XLogP value of 3.8184 indicates that 2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic 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-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid. Following Lipinski's Rule of Five, 2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic 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-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid?
The CAS number of 2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid is 530139-68-5.
What is the molecular formula of 2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid?
The molecular formula of 2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid is C15H10Cl2N2O3S.
What is the molecular weight of 2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid?
The molecular weight of 2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid is 367.98 g/mol.
Where can I buy 2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid?
You can request a quote for 2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.