Acetic acid, (3-(N-benzylbutyramido)-2,4,6-triiodophenyl)-
TL;DR: Acetic acid, (3-(N-benzylbutyramido)-2,4,6-triiodophenyl)- (CAS 29193-41-7) is a chemical compound with molecular formula C19H18I3NO3 and molecular weight 688.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[benzyl(butanoyl)amino]-2,4,6-triiodophenyl]acetic acid
Also Known As: Acetic acid, (3-(N-benzylbutyramido)-2,4,6-triiodophenyl)-, (3-(N-Benzylbutyramido)-2,4,6-triiodophenyl)acetic acid, 2-[3-[benzyl(butanoyl)amino]-2,4,6-triiodophenyl]acetic acid, [3-(N-Benzylbutanamido)-2,4,6-triiodophenyl]acetic acid, [3-(N-Benzylbutyrylamino)-2,4,6-triiodophenyl]acetic acid
| Molecular Formula | C19H18I3NO3 |
|---|---|
| Molecular Weight | 688.84 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 688.8421 |
| Heavy Atoms | 26 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 29193-41-7 |
|---|---|
| SMILES | CCCC(=O)N(CC1=CC=CC=C1)C2=C(C=C(C(=C2I)CC(=O)O)I)I |
| InChIKey | APXYHXSAVLWPPM-UHFFFAOYSA-N |
Product Overview
Acetic acid, (3-(N-benzylbutyramido)-2,4,6-triiodophenyl)- (CAS 29193-41-7), with molecular formula C19H18I3NO3 and molecular weight 688.84 g/mol. IUPAC: 2-[3-[benzyl(butanoyl)amino]-2,4,6-triiodophenyl]acetic acid.
Chemical Property Profile of Acetic acid, (3-(N-benzylbutyramido)-2,4,6-triiodophenyl)-
Property Insights of Acetic acid, (3-(N-benzylbutyramido)-2,4,6-triiodophenyl)-
The XLogP value of 5.0 indicates that Acetic acid, (3-(N-benzylbutyramido)-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-benzylbutyramido)-2,4,6-triiodophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (3-(N-benzylbutyramido)-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-benzylbutyramido)-2,4,6-triiodophenyl)-?
The CAS number of Acetic acid, (3-(N-benzylbutyramido)-2,4,6-triiodophenyl)- is 29193-41-7.
What is the molecular formula of Acetic acid, (3-(N-benzylbutyramido)-2,4,6-triiodophenyl)-?
The molecular formula of Acetic acid, (3-(N-benzylbutyramido)-2,4,6-triiodophenyl)- is C19H18I3NO3.
What is the molecular weight of Acetic acid, (3-(N-benzylbutyramido)-2,4,6-triiodophenyl)-?
The molecular weight of Acetic acid, (3-(N-benzylbutyramido)-2,4,6-triiodophenyl)- is 688.84 g/mol.
Where can I buy Acetic acid, (3-(N-benzylbutyramido)-2,4,6-triiodophenyl)-?
You can request a quote for Acetic acid, (3-(N-benzylbutyramido)-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-benzylbutyramido)-2,4,6-triiodophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (3-(N-benzylbutyramido)-2,4,6-triiodophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.