![2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID structure](/static/products/5324/532414-45-2.webp)
2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID
TL;DR: 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID (CAS 532414-45-2) is a chemical compound with molecular formula C16H11ClI2N2O4S and molecular weight 615.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-4-methoxybenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid
Also Known As: 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID, 2-[(3-chloro-4-methoxy-benzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic Acid, 2-[(3-chloro-4-methoxybenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid, 2-[[[(3-Chloro-4-methoxybenzoyl)amino]thioxomethyl ]amino]-3,5-diiodo-benzoic acid
| Molecular Formula | C16H11ClI2N2O4S |
|---|---|
| Molecular Weight | 615.82 g/mol |
| LogP | 4.3828 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 615.8218 |
| Heavy Atoms | 26 |
| Complexity | 908.0588 |
Chemical Identifiers
| CAS Number | 532414-45-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2I)I)C(=O)O)Cl |
Product Overview
2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID (CAS 532414-45-2), with molecular formula C16H11ClI2N2O4S and molecular weight 615.82 g/mol. IUPAC: 2-[(3-chloro-4-methoxybenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid.
Chemical Property Profile of 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID
Property Insights of 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID
The XLogP value of 4.3828 indicates that 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID 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 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID. Following Lipinski's Rule of Five, 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID?
The CAS number of 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID is 532414-45-2.
What is the molecular formula of 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID?
The molecular formula of 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID is C16H11ClI2N2O4S.
What is the molecular weight of 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID?
The molecular weight of 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID is 615.82 g/mol.
Where can I buy 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID?
You can request a quote for 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[ AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOICACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.