碘他拉酸
TL;DR: 碘他拉酸 (CAS 2276-90-6) is a chemical compound with molecular formula C11H9I3N2O4 and molecular weight 613.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘他拉酸
3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Also Known As: iotalamic acid, IOTHALAMIC ACID, Acido iotalamico, Iothalamate, Acide iotalamique
| Molecular Formula | C11H9I3N2O4 |
|---|---|
| Molecular Weight | 613.77 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 613.7696 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 2276-90-6 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I |
| InChIKey | UXIGWFXRQKWHHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘他拉酸 (CAS 2276-90-6), with molecular formula C11H9I3N2O4 and molecular weight 613.77 g/mol. IUPAC: 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid.
Chemical Property Profile of 碘他拉酸
Property Insights of 碘他拉酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 碘他拉酸. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 碘他拉酸. Following Lipinski's Rule of Five, 碘他拉酸 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 碘他拉酸?
The CAS number of 碘他拉酸 is 2276-90-6.
What is the molecular formula of 碘他拉酸?
The molecular formula of 碘他拉酸 is C11H9I3N2O4.
What is the molecular weight of 碘他拉酸?
The molecular weight of 碘他拉酸 is 613.77 g/mol.
Where can I buy 碘他拉酸?
You can request a quote for 碘他拉酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘他拉酸?
Yes, KEHONG BIO provides custom synthesis services for 碘他拉酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.