甲泛影酸
TL;DR: 甲泛影酸 (CAS 1949-45-7) is a chemical compound with molecular formula C12H11I3N2O4 and molecular weight 627.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲泛影酸
3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid
Also Known As: Metrizoic acid, Metrizoate, Acide metrizoique, Acidum metrizoicum, Isopaque
| Molecular Formula | C12H11I3N2O4 |
|---|---|
| Molecular Weight | 627.79 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 627.7853 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 1949-45-7 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I |
| InChIKey | GGGDNPWHMNJRFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲泛影酸 (CAS 1949-45-7), with molecular formula C12H11I3N2O4 and molecular weight 627.79 g/mol. IUPAC: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid.
Chemical Property Profile of 甲泛影酸
Property Insights of 甲泛影酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲泛影酸. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲泛影酸. Following Lipinski's Rule of Five, 甲泛影酸 has 2 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 甲泛影酸?
The CAS number of 甲泛影酸 is 1949-45-7.
What is the molecular formula of 甲泛影酸?
The molecular formula of 甲泛影酸 is C12H11I3N2O4.
What is the molecular weight of 甲泛影酸?
The molecular weight of 甲泛影酸 is 627.79 g/mol.
Where can I buy 甲泛影酸?
You can request a quote for 甲泛影酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲泛影酸?
Yes, KEHONG BIO provides custom synthesis services for 甲泛影酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.