3,5-二碘-4-丙氧基马尿酸
TL;DR: 3,5-二碘-4-丙氧基马尿酸 (CAS 100191-73-9) is a chemical compound with molecular formula C12H13I2NO4 and molecular weight 488.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二碘-4-丙氧基马尿酸
2-[(3,5-diiodo-4-propoxybenzoyl)amino]acetic acid
Also Known As: 3,5-Diiodo-4-propoxyhippuric acid, 3,5-Dijod-4-propoxyhippursaeure, HIPPURIC ACID, 3,5-DIIODO-4-PROPOXY-, 3,5-Dijod-4-propoxyhippursaeure [German], N-(3,5-diiodo-4-propoxybenzoyl)glycine
| Molecular Formula | C12H13I2NO4 |
|---|---|
| Molecular Weight | 488.89 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.8934 |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 100191-73-9 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1I)C(=O)NCC(=O)O)I |
| InChIKey | OXWFOWCVYQQCRT-UHFFFAOYSA-N |
Product Overview
3,5-二碘-4-丙氧基马尿酸 (CAS 100191-73-9), with molecular formula C12H13I2NO4 and molecular weight 488.89 g/mol. IUPAC: 2-[(3,5-diiodo-4-propoxybenzoyl)amino]acetic acid.
Chemical Property Profile of 3,5-二碘-4-丙氧基马尿酸
Property Insights of 3,5-二碘-4-丙氧基马尿酸
The XLogP value of 3.0 indicates that 3,5-二碘-4-丙氧基马尿酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-二碘-4-丙氧基马尿酸. Following Lipinski's Rule of Five, 3,5-二碘-4-丙氧基马尿酸 has 2 hydrogen bond donor(s) and 4 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 3,5-二碘-4-丙氧基马尿酸?
The CAS number of 3,5-二碘-4-丙氧基马尿酸 is 100191-73-9.
What is the molecular formula of 3,5-二碘-4-丙氧基马尿酸?
The molecular formula of 3,5-二碘-4-丙氧基马尿酸 is C12H13I2NO4.
What is the molecular weight of 3,5-二碘-4-丙氧基马尿酸?
The molecular weight of 3,5-二碘-4-丙氧基马尿酸 is 488.89 g/mol.
Where can I buy 3,5-二碘-4-丙氧基马尿酸?
You can request a quote for 3,5-二碘-4-丙氧基马尿酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二碘-4-丙氧基马尿酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二碘-4-丙氧基马尿酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.