Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)-
TL;DR: Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)- (CAS 29193-37-1) is a chemical compound with molecular formula C13H14I3NO3 and molecular weight 612.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[butanoyl(methyl)amino]-2,4,6-triiodophenyl]acetic acid
Also Known As: ACETIC ACID, (3-(N-METHYLBUTYRAMIDO)-2,4,6-TRIIODOPHENYL)-, (3-(N-Methylbutyramido)-2,4,6-triiodophenyl)acetic acid, 2-[3-[butanoyl(methyl)amino]-2,4,6-triiodophenyl]acetic acid, [2,4,6-Triiodo-3-(N-methylbutanamido)phenyl]acetic acid, [2,4,6-Triiodo-3-(N-methylbutyrylamino)phenyl]acetic acid
| Molecular Formula | C13H14I3NO3 |
|---|---|
| Molecular Weight | 612.81 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 612.8108 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 29193-37-1 |
|---|---|
| SMILES | CCCC(=O)N(C)C1=C(C=C(C(=C1I)CC(=O)O)I)I |
| InChIKey | QCDXRJMPYFIKEH-UHFFFAOYSA-N |
Product Overview
Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)- (CAS 29193-37-1), with molecular formula C13H14I3NO3 and molecular weight 612.81 g/mol. IUPAC: 2-[3-[butanoyl(methyl)amino]-2,4,6-triiodophenyl]acetic acid.
Chemical Property Profile of Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)-
Property Insights of Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)-
The XLogP value of 3.5 indicates that Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)- has 1 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 Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)-?
The CAS number of Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)- is 29193-37-1.
What is the molecular formula of Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)-?
The molecular formula of Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)- is C13H14I3NO3.
What is the molecular weight of Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)-?
The molecular weight of Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)- is 612.81 g/mol.
Where can I buy Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)-?
You can request a quote for Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.