5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid
TL;DR: 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid (CAS 530155-65-8) is a chemical compound with molecular formula C19H13ClN2O3S and molecular weight 384.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid
Also Known As: 5-chloro-2-[[[amino]thioxomethyl]amino]-benzoicacid, 5-CHLORO-2-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 5-chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid, 5-chloro-2-(naphthalene-1-carbonylthiocarbamoylamino)benzoic Acid, 5-Chloro-2-[[[(1-naphthalenylcarbonyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C19H13ClN2O3S |
|---|---|
| Molecular Weight | 384.03 g/mol |
| LogP | 4.3182 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.03354 |
| Heavy Atoms | 26 |
| Complexity | 1030.9729 |
Chemical Identifiers
| CAS Number | 530155-65-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)C(=O)O |
Product Overview
5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid (CAS 530155-65-8), with molecular formula C19H13ClN2O3S and molecular weight 384.03 g/mol. IUPAC: 5-chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid
Property Insights of 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid
The XLogP value of 4.3182 indicates that 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)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 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid. Following Lipinski's Rule of Five, 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)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 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid?
The CAS number of 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid is 530155-65-8.
What is the molecular formula of 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid?
The molecular formula of 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid is C19H13ClN2O3S.
What is the molecular weight of 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid?
The molecular weight of 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid is 384.03 g/mol.
Where can I buy 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid?
You can request a quote for 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.