![2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid structure](/static/products/5329/532951-79-4.webp)
2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid
TL;DR: 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid (CAS 532951-79-4) is a chemical compound with molecular formula C19H12BrIN2O3S and molecular weight 553.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid
Also Known As: 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid, 2-[(5-bromonaphthalene-1-carbonyl)thiocarbamoylamino]-5-iodo-benzoic Acid, 2-[[[[(5-Bromo-1-naphthalenyl)carbonyl ]amino]thioxomethyl ]amino]-5-iodo-benzoic acid
| Molecular Formula | C19H12BrIN2O3S |
|---|---|
| Molecular Weight | 553.88 g/mol |
| LogP | 5.0319 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 553.8797 |
| Heavy Atoms | 27 |
| Complexity | 1087.7379 |
Chemical Identifiers
| CAS Number | 532951-79-4 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C(=O)O |
Product Overview
2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid (CAS 532951-79-4), with molecular formula C19H12BrIN2O3S and molecular weight 553.88 g/mol. IUPAC: 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid.
Chemical Property Profile of 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid
Property Insights of 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid
The XLogP value of 5.0319 indicates that 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic 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-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid. Following Lipinski's Rule of Five, 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid?
The CAS number of 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid is 532951-79-4.
What is the molecular formula of 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid?
The molecular formula of 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid is C19H12BrIN2O3S.
What is the molecular weight of 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid?
The molecular weight of 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid is 553.88 g/mol.
Where can I buy 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid?
You can request a quote for 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-5-iodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.